; LLVM IR from Yasuaki-Ito/GANSU :: src (basis_set)

; Unoptimized IR (clang -disable-llvm-passes):
target datalayout = "e-m:e-p270:32:32-p271:32:32-p272:64:64-i64:64-i128:128-f80:128-n8:16:32:64-S128"
target triple = "x86_64-unknown-linux-gnu"

%"class.gansu::BasisSet" = type { %"class.std::unordered_map.30" }
%"class.std::unordered_map.30" = type { %"class.std::_Hashtable.31" }
%"class.std::_Hashtable.31" = type { ptr, i64, %"struct.std::__detail::_Hash_node_base", i64, %"struct.std::__detail::_Prime_rehash_policy", ptr }
%"struct.std::__detail::_Hash_node_base" = type { ptr }
%"struct.std::__detail::_Prime_rehash_policy" = type { float, i64 }
%"class.std::basic_ifstream" = type { %"class.std::basic_istream.base", %"class.std::basic_filebuf", %"class.std::basic_ios" }
%"class.std::basic_istream.base" = type { ptr, i64 }
%"class.std::basic_filebuf" = type { %"class.std::basic_streambuf", %union.pthread_mutex_t, %"class.std::__basic_file", i32, %struct.__mbstate_t, %struct.__mbstate_t, %struct.__mbstate_t, ptr, i64, i8, i8, i8, i8, ptr, ptr, i8, ptr, ptr, i64, ptr, ptr }
%"class.std::basic_streambuf" = type { ptr, ptr, ptr, ptr, ptr, ptr, ptr, %"class.std::locale" }
%"class.std::locale" = type { ptr }
%union.pthread_mutex_t = type { %struct.__pthread_mutex_s }
%struct.__pthread_mutex_s = type { i32, i32, i32, i32, i32, i16, i16, %struct.__pthread_internal_list }
%struct.__pthread_internal_list = type { ptr, ptr }
%"class.std::__basic_file" = type <{ ptr, i8, [7 x i8] }>
%struct.__mbstate_t = type { i32, %union.anon.44 }
%union.anon.44 = type { i32 }
%"class.std::basic_ios" = type { %"class.std::ios_base", ptr, i8, i8, ptr, ptr, ptr, ptr }
%"class.std::ios_base" = type { ptr, i64, i64, i32, i32, i32, ptr, %"struct.std::ios_base::_Words", [8 x %"struct.std::ios_base::_Words"], i32, ptr, %"class.std::locale" }
%"struct.std::ios_base::_Words" = type { ptr, i64 }
%"class.std::__cxx11::basic_string" = type { %"struct.std::__cxx11::basic_string<char>::_Alloc_hider", i64, %union.anon }
%"struct.std::__cxx11::basic_string<char>::_Alloc_hider" = type { ptr }
%union.anon = type { i64, [8 x i8] }
%"class.std::allocator.2" = type { i8 }
%"class.gansu::ElementBasisSet" = type { %"class.std::__cxx11::basic_string", %"class.std::vector.45" }
%"class.std::vector.45" = type { %"struct.std::_Vector_base.46" }
%"struct.std::_Vector_base.46" = type { %"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl" }
%"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl" = type { %"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl_data" }
%"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl_data" = type { ptr, ptr, ptr }
%"class.std::fpos" = type { i64, %struct.__mbstate_t }
%"class.std::__cxx11::basic_istringstream" = type { %"class.std::basic_istream.base", %"class.std::__cxx11::basic_stringbuf", %"class.std::basic_ios" }
%"class.std::__cxx11::basic_stringbuf" = type { %"class.std::basic_streambuf", i32, %"class.std::__cxx11::basic_string" }
%"class.gansu::ContractedGauss" = type { %"class.std::__cxx11::basic_string", %"class.std::vector.50" }
%"class.std::vector.50" = type { %"struct.std::_Vector_base.51" }
%"struct.std::_Vector_base.51" = type { %"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl" }
%"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl" = type { %"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl_data" }
%"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl_data" = type { ptr, ptr, ptr }
%"class.__gnu_cxx::__normal_iterator" = type { ptr }

@.str.132 = external hidden unnamed_addr constant [29 x i8], align 1
@.str.133 = external hidden unnamed_addr constant [69 x i8], align 1
@__func__._ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE = external hidden unnamed_addr constant [19 x i8], align 1
@_ZTIN5gansu9ExceptionE = external dso_local constant { ptr, ptr, ptr }, align 8
@.str.134 = external hidden unnamed_addr constant [5 x i8], align 1
@.str.135 = external hidden unnamed_addr constant [30 x i8], align 1

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #0

declare i32 @__gxx_personality_v0(...)

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #0

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32), ptr noundef, ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
define dso_local void @_ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr dead_on_unwind noalias writable sret(%"class.gansu::BasisSet") align 8 %0, ptr noundef nonnull align 8 dereferenceable(32) %1) #2 align 2 personality ptr @__gxx_personality_v0 {
  %3 = alloca ptr, align 8
  %4 = alloca ptr, align 8
  %5 = alloca %"class.std::basic_ifstream", align 8
  %6 = alloca ptr, align 8
  %7 = alloca i32, align 4
  %8 = alloca %"class.std::__cxx11::basic_string", align 8
  %9 = alloca %"class.std::__cxx11::basic_string", align 8
  %10 = alloca %"class.std::allocator.2", align 1
  %11 = alloca %"class.std::__cxx11::basic_string", align 8
  %12 = alloca %"class.std::allocator.2", align 1
  %13 = alloca i1, align 1
  %14 = alloca i1, align 1
  %15 = alloca %"class.std::__cxx11::basic_string", align 8
  %16 = alloca %"class.gansu::ElementBasisSet", align 8
  %17 = alloca %"class.std::fpos", align 8
  %18 = alloca %"class.std::fpos", align 8
  %19 = alloca %"class.gansu::ElementBasisSet", align 8
  %20 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %21 = alloca %"class.std::__cxx11::basic_string", align 8
  %22 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %23 = alloca %"class.std::__cxx11::basic_string", align 8
  %24 = alloca i64, align 8
  %25 = alloca %"class.gansu::ContractedGauss", align 8
  %26 = alloca i64, align 8
  %27 = alloca %"class.__gnu_cxx::__normal_iterator", align 8
  %28 = alloca %"class.__gnu_cxx::__normal_iterator", align 8
  %29 = alloca i8, align 1
  %30 = alloca i8, align 1
  %31 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %32 = alloca double, align 8
  %33 = alloca double, align 8
  %34 = alloca %"class.gansu::ContractedGauss", align 8
  %35 = alloca %"class.std::__cxx11::basic_string", align 8
  %36 = alloca %"class.std::allocator.2", align 1
  %37 = alloca %"class.gansu::ContractedGauss", align 8
  %38 = alloca %"class.std::__cxx11::basic_string", align 8
  %39 = alloca %"class.std::allocator.2", align 1
  %40 = alloca i64, align 8
  %41 = alloca %"class.__gnu_cxx::__normal_iterator", align 8
  %42 = alloca %"class.__gnu_cxx::__normal_iterator", align 8
  %43 = alloca i8, align 1
  %44 = alloca i8, align 1
  %45 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %46 = alloca double, align 8
  %47 = alloca double, align 8
  %48 = alloca double, align 8
  %49 = alloca %"class.std::__cxx11::basic_string", align 8
  %50 = alloca %"class.std::__cxx11::basic_string", align 8
  %51 = alloca %"class.std::allocator.2", align 1
  %52 = alloca %"class.std::__cxx11::basic_string", align 8
  %53 = alloca %"class.std::allocator.2", align 1
  %54 = alloca i1, align 1
  store ptr %0, ptr %3, align 8
  store ptr %1, ptr %4, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 520, ptr %5) #7
  %55 = load ptr, ptr %4, align 8, !tbaa !5
  call void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEEC1ERKNSt7__cxx1112basic_stringIcS1_SaIcEEESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(256) %5, ptr noundef nonnull align 8 dereferenceable(32) %55, i32 noundef 8)
  %56 = load ptr, ptr %5, align 8, !tbaa !9
  %57 = getelementptr i8, ptr %56, i64 -24
  %58 = load i64, ptr %57, align 8
  %59 = getelementptr inbounds i8, ptr %5, i64 %58
  %60 = invoke noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEntEv(ptr noundef nonnull align 8 dereferenceable(264) %59)
          to label %61 unwind label %77

61:                                               ; preds = %2
  br i1 %60, label %62, label %103

62:                                               ; preds = %61
  store i1 true, ptr %13, align 1
  %63 = call ptr @__cxa_allocate_exception(i64 144) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %8) #7
  %64 = load ptr, ptr %4, align 8, !tbaa !5
  invoke void @_ZStplIcSt11char_traitsIcESaIcEENSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_RKS8_(ptr dead_on_unwind writable sret(%"class.std::__cxx11::basic_string") align 8 %8, ptr noundef @.str.132, ptr noundef nonnull align 8 dereferenceable(32) %64)
          to label %65 unwind label %81

65:                                               ; preds = %62
  call void @llvm.lifetime.start.p0(i64 32, ptr %9) #7
  %66 = call noundef ptr @strrchr(ptr noundef @.str.133, i32 noundef 47) #8
  %67 = icmp ne ptr %66, null
  br i1 %67, label %68, label %71

68:                                               ; preds = %65
  %69 = call noundef ptr @strrchr(ptr noundef @.str.133, i32 noundef 47) #8
  %70 = getelementptr inbounds i8, ptr %69, i64 1
  br label %72

71:                                               ; preds = %65
  br label %72

72:                                               ; preds = %71, %68
  %73 = phi ptr [ %70, %68 ], [ @.str.133, %71 ]
  call void @llvm.lifetime.start.p0(i64 1, ptr %10) #7
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %10) #7
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %9, ptr noundef %73, ptr noundef nonnull align 1 dereferenceable(1) %10)
          to label %74 unwind label %85

74:                                               ; preds = %72
  call void @llvm.lifetime.start.p0(i64 32, ptr %11) #7
  call void @llvm.lifetime.start.p0(i64 1, ptr %12) #7
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %12) #7
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %11, ptr noundef @__func__._ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE, ptr noundef nonnull align 1 dereferenceable(1) %12)
          to label %75 unwind label %89

75:                                               ; preds = %74
  invoke void @_ZN5gansu9ExceptionC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES8_iS8_(ptr noundef nonnull align 8 dereferenceable(144) %63, ptr noundef nonnull align 8 dereferenceable(32) %8, ptr noundef nonnull align 8 dereferenceable(32) %9, i32 noundef 35, ptr noundef nonnull align 8 dereferenceable(32) %11)
          to label %76 unwind label %93

76:                                               ; preds = %75
  store i1 false, ptr %13, align 1
  invoke void @__cxa_throw(ptr %63, ptr @_ZTIN5gansu9ExceptionE, ptr @_ZN5gansu9ExceptionD2Ev) #9
          to label %443 unwind label %93

77:                                               ; preds = %2
  %78 = landingpad { ptr, i32 }
          cleanup
  %79 = extractvalue { ptr, i32 } %78, 0
  store ptr %79, ptr %6, align 8
  %80 = extractvalue { ptr, i32 } %78, 1
  store i32 %80, ptr %7, align 4
  br label %437

81:                                               ; preds = %62
  %82 = landingpad { ptr, i32 }
          cleanup
  %83 = extractvalue { ptr, i32 } %82, 0
  store ptr %83, ptr %6, align 8
  %84 = extractvalue { ptr, i32 } %82, 1
  store i32 %84, ptr %7, align 4
  br label %99

85:                                               ; preds = %72
  %86 = landingpad { ptr, i32 }
          cleanup
  %87 = extractvalue { ptr, i32 } %86, 0
  store ptr %87, ptr %6, align 8
  %88 = extractvalue { ptr, i32 } %86, 1
  store i32 %88, ptr %7, align 4
  br label %98

89:                                               ; preds = %74
  %90 = landingpad { ptr, i32 }
          cleanup
  %91 = extractvalue { ptr, i32 } %90, 0
  store ptr %91, ptr %6, align 8
  %92 = extractvalue { ptr, i32 } %90, 1
  store i32 %92, ptr %7, align 4
  br label %97

93:                                               ; preds = %76, %75
  %94 = landingpad { ptr, i32 }
          cleanup
  %95 = extractvalue { ptr, i32 } %94, 0
  store ptr %95, ptr %6, align 8
  %96 = extractvalue { ptr, i32 } %94, 1
  store i32 %96, ptr %7, align 4
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %11) #7
  br label %97

97:                                               ; preds = %93, %89
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %12) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %12) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %11) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %9) #7
  br label %98

98:                                               ; preds = %97, %85
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %10) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %10) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %9) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %8) #7
  br label %99

99:                                               ; preds = %98, %81
  call void @llvm.lifetime.end.p0(i64 32, ptr %8) #7
  %100 = load i1, ptr %13, align 1
  br i1 %100, label %101, label %102

101:                                              ; preds = %99
  call void @__cxa_free_exception(ptr %63) #7
  br label %102

102:                                              ; preds = %101, %99
  br label %437

103:                                              ; preds = %61
  store i1 false, ptr %14, align 1
  call void @_ZN5gansu8BasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56) %0) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %15) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  call void @llvm.lifetime.start.p0(i64 56, ptr %16) #7
  invoke void @_ZN5gansu15ElementBasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56) %16)
          to label %104 unwind label %142

104:                                              ; preds = %103
  br label %105

105:                                              ; preds = %154, %104
  %106 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %5, ptr noundef nonnull align 8 dereferenceable(32) %15)
          to label %107 unwind label %146

107:                                              ; preds = %105
  %108 = load ptr, ptr %106, align 8, !tbaa !9
  %109 = getelementptr i8, ptr %108, i64 -24
  %110 = load i64, ptr %109, align 8
  %111 = getelementptr inbounds i8, ptr %106, i64 %110
  %112 = invoke noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEcvbEv(ptr noundef nonnull align 8 dereferenceable(264) %111)
          to label %113 unwind label %146

113:                                              ; preds = %107
  br i1 %112, label %114, label %155

114:                                              ; preds = %113
  %115 = invoke noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32) %15, i64 noundef 0)
          to label %116 unwind label %146

116:                                              ; preds = %114
  %117 = load i8, ptr %115, align 1, !tbaa !11
  %118 = sext i8 %117 to i32
  %119 = call i32 @isalpha(i32 noundef %118) #8
  %120 = icmp ne i32 %119, 0
  br i1 %120, label %121, label %154

121:                                              ; preds = %116
  call void @llvm.lifetime.start.p0(i64 16, ptr %18) #7
  %122 = invoke { i64, i64 } @_ZNSi5tellgEv(ptr noundef nonnull align 8 dereferenceable(16) %5)
          to label %123 unwind label %150

123:                                              ; preds = %121
  %124 = getelementptr inbounds { i64, i64 }, ptr %18, i32 0, i32 0
  %125 = extractvalue { i64, i64 } %122, 0
  store i64 %125, ptr %124, align 8
  %126 = getelementptr inbounds { i64, i64 }, ptr %18, i32 0, i32 1
  %127 = extractvalue { i64, i64 } %122, 1
  store i64 %127, ptr %126, align 8
  %128 = call noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  %129 = add i64 %128, 1
  %130 = invoke { i64, i64 } @_ZNKSt4fposI11__mbstate_tEmiEl(ptr noundef nonnull align 8 dereferenceable(16) %18, i64 noundef %129)
          to label %131 unwind label %150

131:                                              ; preds = %123
  %132 = getelementptr inbounds { i64, i64 }, ptr %17, i32 0, i32 0
  %133 = extractvalue { i64, i64 } %130, 0
  store i64 %133, ptr %132, align 8
  %134 = getelementptr inbounds { i64, i64 }, ptr %17, i32 0, i32 1
  %135 = extractvalue { i64, i64 } %130, 1
  store i64 %135, ptr %134, align 8
  %136 = getelementptr inbounds { i64, i64 }, ptr %17, i32 0, i32 0
  %137 = load i64, ptr %136, align 8
  %138 = getelementptr inbounds { i64, i64 }, ptr %17, i32 0, i32 1
  %139 = load i64, ptr %138, align 8
  %140 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSi5seekgESt4fposI11__mbstate_tE(ptr noundef nonnull align 8 dereferenceable(16) %5, i64 %137, i64 %139)
          to label %141 unwind label %150

141:                                              ; preds = %131
  call void @llvm.lifetime.end.p0(i64 16, ptr %18) #7
  br label %155

142:                                              ; preds = %103
  %143 = landingpad { ptr, i32 }
          cleanup
  %144 = extractvalue { ptr, i32 } %143, 0
  store ptr %144, ptr %6, align 8
  %145 = extractvalue { ptr, i32 } %143, 1
  store i32 %145, ptr %7, align 4
  br label %434

146:                                              ; preds = %429, %425, %192, %185, %183, %176, %168, %164, %156, %114, %107, %105
  %147 = landingpad { ptr, i32 }
          cleanup
  %148 = extractvalue { ptr, i32 } %147, 0
  store ptr %148, ptr %6, align 8
  %149 = extractvalue { ptr, i32 } %147, 1
  store i32 %149, ptr %7, align 4
  br label %433

150:                                              ; preds = %131, %123, %121
  %151 = landingpad { ptr, i32 }
          cleanup
  %152 = extractvalue { ptr, i32 } %151, 0
  store ptr %152, ptr %6, align 8
  %153 = extractvalue { ptr, i32 } %151, 1
  store i32 %153, ptr %7, align 4
  call void @llvm.lifetime.end.p0(i64 16, ptr %18) #7
  br label %433

154:                                              ; preds = %116
  br label %105, !llvm.loop !12

155:                                              ; preds = %141, %113
  br label %156

156:                                              ; preds = %424, %155
  %157 = load ptr, ptr %5, align 8, !tbaa !9
  %158 = getelementptr i8, ptr %157, i64 -24
  %159 = load i64, ptr %158, align 8
  %160 = getelementptr inbounds i8, ptr %5, i64 %159
  %161 = invoke noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEE3eofEv(ptr noundef nonnull align 8 dereferenceable(264) %160)
          to label %162 unwind label %146

162:                                              ; preds = %156
  %163 = xor i1 %161, true
  br i1 %163, label %164, label %425

164:                                              ; preds = %162
  %165 = invoke noundef nonnull align 8 dereferenceable(32) ptr @_ZNK5gansu15ElementBasisSet16get_element_nameB5cxx11Ev(ptr noundef nonnull align 8 dereferenceable(56) %16)
          to label %166 unwind label %146

166:                                              ; preds = %164
  %167 = call noundef zeroext i1 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5emptyEv(ptr noundef nonnull align 8 dereferenceable(32) %165) #7
  br i1 %167, label %176, label %168

168:                                              ; preds = %166
  invoke void @_ZN5gansu8BasisSet21add_element_basis_setERKNS_15ElementBasisSetE(ptr noundef nonnull align 8 dereferenceable(56) %0, ptr noundef nonnull align 8 dereferenceable(56) %16)
          to label %169 unwind label %146

169:                                              ; preds = %168
  call void @llvm.lifetime.start.p0(i64 56, ptr %19) #7
  invoke void @_ZN5gansu15ElementBasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56) %19)
          to label %170 unwind label %172

170:                                              ; preds = %169
  %171 = call noundef nonnull align 8 dereferenceable(56) ptr @_ZN5gansu15ElementBasisSetaSEOS0_(ptr noundef nonnull align 8 dereferenceable(56) %16, ptr noundef nonnull align 8 dereferenceable(56) %19) #7
  call void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %19) #7
  call void @llvm.lifetime.end.p0(i64 56, ptr %19) #7
  br label %176

172:                                              ; preds = %169
  %173 = landingpad { ptr, i32 }
          cleanup
  %174 = extractvalue { ptr, i32 } %173, 0
  store ptr %174, ptr %6, align 8
  %175 = extractvalue { ptr, i32 } %173, 1
  store i32 %175, ptr %7, align 4
  call void @llvm.lifetime.end.p0(i64 56, ptr %19) #7
  br label %433

176:                                              ; preds = %170, %166
  %177 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %5, ptr noundef nonnull align 8 dereferenceable(32) %15)
          to label %178 unwind label %146

178:                                              ; preds = %176
  call void @llvm.lifetime.start.p0(i64 384, ptr %20) #7
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %20, ptr noundef nonnull align 8 dereferenceable(32) %15, i32 noundef 8)
          to label %179 unwind label %196

179:                                              ; preds = %178
  call void @llvm.lifetime.start.p0(i64 32, ptr %21) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32) %21) #7
  %180 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZStrsIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %20, ptr noundef nonnull align 8 dereferenceable(32) %21)
          to label %181 unwind label %200

181:                                              ; preds = %179
  invoke void @_ZN5gansu15ElementBasisSet16set_element_nameERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %16, ptr noundef nonnull align 8 dereferenceable(32) %21)
          to label %182 unwind label %200

182:                                              ; preds = %181
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %21) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %21) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %20) #7
  call void @llvm.lifetime.end.p0(i64 384, ptr %20) #7
  br label %183

183:                                              ; preds = %421, %182
  %184 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %5, ptr noundef nonnull align 8 dereferenceable(32) %15)
          to label %185 unwind label %146

185:                                              ; preds = %183
  %186 = load ptr, ptr %184, align 8, !tbaa !9
  %187 = getelementptr i8, ptr %186, i64 -24
  %188 = load i64, ptr %187, align 8
  %189 = getelementptr inbounds i8, ptr %184, i64 %188
  %190 = invoke noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEcvbEv(ptr noundef nonnull align 8 dereferenceable(264) %189)
          to label %191 unwind label %146

191:                                              ; preds = %185
  br i1 %190, label %192, label %424

192:                                              ; preds = %191
  %193 = invoke noundef zeroext i1 @_ZSteqIcSt11char_traitsIcESaIcEEbRKNSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_(ptr noundef nonnull align 8 dereferenceable(32) %15, ptr noundef @.str.134)
          to label %194 unwind label %146

194:                                              ; preds = %192
  br i1 %193, label %195, label %205

195:                                              ; preds = %194
  br label %424

196:                                              ; preds = %178
  %197 = landingpad { ptr, i32 }
          cleanup
  %198 = extractvalue { ptr, i32 } %197, 0
  store ptr %198, ptr %6, align 8
  %199 = extractvalue { ptr, i32 } %197, 1
  store i32 %199, ptr %7, align 4
  br label %204

200:                                              ; preds = %181, %179
  %201 = landingpad { ptr, i32 }
          cleanup
  %202 = extractvalue { ptr, i32 } %201, 0
  store ptr %202, ptr %6, align 8
  %203 = extractvalue { ptr, i32 } %201, 1
  store i32 %203, ptr %7, align 4
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %21) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %21) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %20) #7
  br label %204

204:                                              ; preds = %200, %196
  call void @llvm.lifetime.end.p0(i64 384, ptr %20) #7
  br label %433

205:                                              ; preds = %194
  call void @llvm.lifetime.start.p0(i64 384, ptr %22) #7
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %22, ptr noundef nonnull align 8 dereferenceable(32) %15, i32 noundef 8)
          to label %206 unwind label %220

206:                                              ; preds = %205
  call void @llvm.lifetime.start.p0(i64 32, ptr %23) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32) %23) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %24) #7
  %207 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZStrsIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %22, ptr noundef nonnull align 8 dereferenceable(32) %23)
          to label %208 unwind label %224

208:                                              ; preds = %206
  %209 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERm(ptr noundef nonnull align 8 dereferenceable(16) %207, ptr noundef nonnull align 8 dereferenceable(8) %24)
          to label %210 unwind label %224

210:                                              ; preds = %208
  %211 = call noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE6lengthEv(ptr noundef nonnull align 8 dereferenceable(32) %23) #7
  %212 = icmp eq i64 %211, 1
  br i1 %212, label %213, label %281

213:                                              ; preds = %210
  call void @llvm.lifetime.start.p0(i64 56, ptr %25) #7
  invoke void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %25, ptr noundef nonnull align 8 dereferenceable(32) %23)
          to label %214 unwind label %228

214:                                              ; preds = %213
  call void @llvm.lifetime.start.p0(i64 8, ptr %26) #7
  store i64 0, ptr %26, align 8, !tbaa !14
  br label %215

215:                                              ; preds = %252, %214
  %216 = load i64, ptr %26, align 8, !tbaa !14
  %217 = load i64, ptr %24, align 8, !tbaa !14
  %218 = icmp ult i64 %216, %217
  br i1 %218, label %232, label %219

219:                                              ; preds = %215
  call void @llvm.lifetime.end.p0(i64 8, ptr %26) #7
  br label %273

220:                                              ; preds = %205
  %221 = landingpad { ptr, i32 }
          cleanup
  %222 = extractvalue { ptr, i32 } %221, 0
  store ptr %222, ptr %6, align 8
  %223 = extractvalue { ptr, i32 } %221, 1
  store i32 %223, ptr %7, align 4
  br label %423

224:                                              ; preds = %208, %206
  %225 = landingpad { ptr, i32 }
          cleanup
  %226 = extractvalue { ptr, i32 } %225, 0
  store ptr %226, ptr %6, align 8
  %227 = extractvalue { ptr, i32 } %225, 1
  store i32 %227, ptr %7, align 4
  br label %422

228:                                              ; preds = %213
  %229 = landingpad { ptr, i32 }
          cleanup
  %230 = extractvalue { ptr, i32 } %229, 0
  store ptr %230, ptr %6, align 8
  %231 = extractvalue { ptr, i32 } %229, 1
  store i32 %231, ptr %7, align 4
  br label %280

232:                                              ; preds = %215
  %233 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %5, ptr noundef nonnull align 8 dereferenceable(32) %15)
          to label %234 unwind label %255

234:                                              ; preds = %232
  %235 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5beginEv(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  %236 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %27, i32 0, i32 0
  store ptr %235, ptr %236, align 8
  %237 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE3endEv(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  %238 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %28, i32 0, i32 0
  store ptr %237, ptr %238, align 8
  call void @llvm.lifetime.start.p0(i64 1, ptr %29) #7
  store i8 68, ptr %29, align 1, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 1, ptr %30) #7
  store i8 69, ptr %30, align 1, !tbaa !11
  %239 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %27, i32 0, i32 0
  %240 = load ptr, ptr %239, align 8
  %241 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %28, i32 0, i32 0
  %242 = load ptr, ptr %241, align 8
  invoke void @_ZSt7replaceIN9__gnu_cxx17__normal_iteratorIPcNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEEEcEvT_SA_RKT0_SD_(ptr %240, ptr %242, ptr noundef nonnull align 1 dereferenceable(1) %29, ptr noundef nonnull align 1 dereferenceable(1) %30)
          to label %243 unwind label %259

243:                                              ; preds = %234
  call void @llvm.lifetime.end.p0(i64 1, ptr %30) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %29) #7
  call void @llvm.lifetime.start.p0(i64 384, ptr %31) #7
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %31, ptr noundef nonnull align 8 dereferenceable(32) %15, i32 noundef 8)
          to label %244 unwind label %263

244:                                              ; preds = %243
  call void @llvm.lifetime.start.p0(i64 8, ptr %32) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %33) #7
  %245 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %31, ptr noundef nonnull align 8 dereferenceable(8) %32)
          to label %246 unwind label %267

246:                                              ; preds = %244
  %247 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %245, ptr noundef nonnull align 8 dereferenceable(8) %33)
          to label %248 unwind label %267

248:                                              ; preds = %246
  %249 = load double, ptr %32, align 8, !tbaa !16
  %250 = load double, ptr %33, align 8, !tbaa !16
  invoke void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56) %25, double noundef %249, double noundef %250)
          to label %251 unwind label %267

251:                                              ; preds = %248
  call void @llvm.lifetime.end.p0(i64 8, ptr %33) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %32) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %31) #7
  call void @llvm.lifetime.end.p0(i64 384, ptr %31) #7
  br label %252

252:                                              ; preds = %251
  %253 = load i64, ptr %26, align 8, !tbaa !14
  %254 = add i64 %253, 1
  store i64 %254, ptr %26, align 8, !tbaa !14
  br label %215, !llvm.loop !18

255:                                              ; preds = %232
  %256 = landingpad { ptr, i32 }
          cleanup
  %257 = extractvalue { ptr, i32 } %256, 0
  store ptr %257, ptr %6, align 8
  %258 = extractvalue { ptr, i32 } %256, 1
  store i32 %258, ptr %7, align 4
  br label %272

259:                                              ; preds = %234
  %260 = landingpad { ptr, i32 }
          cleanup
  %261 = extractvalue { ptr, i32 } %260, 0
  store ptr %261, ptr %6, align 8
  %262 = extractvalue { ptr, i32 } %260, 1
  store i32 %262, ptr %7, align 4
  call void @llvm.lifetime.end.p0(i64 1, ptr %30) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %29) #7
  br label %272

263:                                              ; preds = %243
  %264 = landingpad { ptr, i32 }
          cleanup
  %265 = extractvalue { ptr, i32 } %264, 0
  store ptr %265, ptr %6, align 8
  %266 = extractvalue { ptr, i32 } %264, 1
  store i32 %266, ptr %7, align 4
  br label %271

267:                                              ; preds = %248, %246, %244
  %268 = landingpad { ptr, i32 }
          cleanup
  %269 = extractvalue { ptr, i32 } %268, 0
  store ptr %269, ptr %6, align 8
  %270 = extractvalue { ptr, i32 } %268, 1
  store i32 %270, ptr %7, align 4
  call void @llvm.lifetime.end.p0(i64 8, ptr %33) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %32) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %31) #7
  br label %271

271:                                              ; preds = %267, %263
  call void @llvm.lifetime.end.p0(i64 384, ptr %31) #7
  br label %272

272:                                              ; preds = %271, %259, %255
  call void @llvm.lifetime.end.p0(i64 8, ptr %26) #7
  br label %279

273:                                              ; preds = %219
  invoke void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56) %16, ptr noundef nonnull align 8 dereferenceable(56) %25)
          to label %274 unwind label %275

274:                                              ; preds = %273
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %25) #7
  call void @llvm.lifetime.end.p0(i64 56, ptr %25) #7
  br label %421

275:                                              ; preds = %273
  %276 = landingpad { ptr, i32 }
          cleanup
  %277 = extractvalue { ptr, i32 } %276, 0
  store ptr %277, ptr %6, align 8
  %278 = extractvalue { ptr, i32 } %276, 1
  store i32 %278, ptr %7, align 4
  br label %279

279:                                              ; preds = %275, %272
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %25) #7
  br label %280

280:                                              ; preds = %279, %228
  call void @llvm.lifetime.end.p0(i64 56, ptr %25) #7
  br label %422

281:                                              ; preds = %210
  %282 = call noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE6lengthEv(ptr noundef nonnull align 8 dereferenceable(32) %23) #7
  %283 = icmp eq i64 %282, 2
  br i1 %283, label %284, label %384

284:                                              ; preds = %281
  call void @llvm.lifetime.start.p0(i64 56, ptr %34) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %35) #7
  %285 = invoke noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32) %23, i64 noundef 0)
          to label %286 unwind label %300

286:                                              ; preds = %284
  %287 = load i8, ptr %285, align 1, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 1, ptr %36) #7
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %36) #7
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEmcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %35, i64 noundef 1, i8 noundef signext %287, ptr noundef nonnull align 1 dereferenceable(1) %36)
          to label %288 unwind label %304

288:                                              ; preds = %286
  invoke void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %34, ptr noundef nonnull align 8 dereferenceable(32) %35)
          to label %289 unwind label %308

289:                                              ; preds = %288
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %35) #7
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %36) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %36) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %35) #7
  call void @llvm.lifetime.start.p0(i64 56, ptr %37) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %38) #7
  %290 = invoke noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32) %23, i64 noundef 1)
          to label %291 unwind label %314

291:                                              ; preds = %289
  %292 = load i8, ptr %290, align 1, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 1, ptr %39) #7
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %39) #7
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEmcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %38, i64 noundef 1, i8 noundef signext %292, ptr noundef nonnull align 1 dereferenceable(1) %39)
          to label %293 unwind label %318

293:                                              ; preds = %291
  invoke void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %37, ptr noundef nonnull align 8 dereferenceable(32) %38)
          to label %294 unwind label %322

294:                                              ; preds = %293
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %38) #7
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %39) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %39) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %38) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %40) #7
  store i64 0, ptr %40, align 8, !tbaa !14
  br label %295

295:                                              ; preds = %353, %294
  %296 = load i64, ptr %40, align 8, !tbaa !14
  %297 = load i64, ptr %24, align 8, !tbaa !14
  %298 = icmp ult i64 %296, %297
  br i1 %298, label %328, label %299

299:                                              ; preds = %295
  call void @llvm.lifetime.end.p0(i64 8, ptr %40) #7
  br label %374

300:                                              ; preds = %284
  %301 = landingpad { ptr, i32 }
          cleanup
  %302 = extractvalue { ptr, i32 } %301, 0
  store ptr %302, ptr %6, align 8
  %303 = extractvalue { ptr, i32 } %301, 1
  store i32 %303, ptr %7, align 4
  br label %313

304:                                              ; preds = %286
  %305 = landingpad { ptr, i32 }
          cleanup
  %306 = extractvalue { ptr, i32 } %305, 0
  store ptr %306, ptr %6, align 8
  %307 = extractvalue { ptr, i32 } %305, 1
  store i32 %307, ptr %7, align 4
  br label %312

308:                                              ; preds = %288
  %309 = landingpad { ptr, i32 }
          cleanup
  %310 = extractvalue { ptr, i32 } %309, 0
  store ptr %310, ptr %6, align 8
  %311 = extractvalue { ptr, i32 } %309, 1
  store i32 %311, ptr %7, align 4
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %35) #7
  br label %312

312:                                              ; preds = %308, %304
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %36) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %36) #7
  br label %313

313:                                              ; preds = %312, %300
  call void @llvm.lifetime.end.p0(i64 32, ptr %35) #7
  br label %383

314:                                              ; preds = %289
  %315 = landingpad { ptr, i32 }
          cleanup
  %316 = extractvalue { ptr, i32 } %315, 0
  store ptr %316, ptr %6, align 8
  %317 = extractvalue { ptr, i32 } %315, 1
  store i32 %317, ptr %7, align 4
  br label %327

318:                                              ; preds = %291
  %319 = landingpad { ptr, i32 }
          cleanup
  %320 = extractvalue { ptr, i32 } %319, 0
  store ptr %320, ptr %6, align 8
  %321 = extractvalue { ptr, i32 } %319, 1
  store i32 %321, ptr %7, align 4
  br label %326

322:                                              ; preds = %293
  %323 = landingpad { ptr, i32 }
          cleanup
  %324 = extractvalue { ptr, i32 } %323, 0
  store ptr %324, ptr %6, align 8
  %325 = extractvalue { ptr, i32 } %323, 1
  store i32 %325, ptr %7, align 4
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %38) #7
  br label %326

326:                                              ; preds = %322, %318
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %39) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %39) #7
  br label %327

327:                                              ; preds = %326, %314
  call void @llvm.lifetime.end.p0(i64 32, ptr %38) #7
  br label %382

328:                                              ; preds = %295
  %329 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %5, ptr noundef nonnull align 8 dereferenceable(32) %15)
          to label %330 unwind label %356

330:                                              ; preds = %328
  %331 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5beginEv(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  %332 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %41, i32 0, i32 0
  store ptr %331, ptr %332, align 8
  %333 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE3endEv(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  %334 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %42, i32 0, i32 0
  store ptr %333, ptr %334, align 8
  call void @llvm.lifetime.start.p0(i64 1, ptr %43) #7
  store i8 68, ptr %43, align 1, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 1, ptr %44) #7
  store i8 69, ptr %44, align 1, !tbaa !11
  %335 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %41, i32 0, i32 0
  %336 = load ptr, ptr %335, align 8
  %337 = getelementptr inbounds %"class.__gnu_cxx::__normal_iterator", ptr %42, i32 0, i32 0
  %338 = load ptr, ptr %337, align 8
  invoke void @_ZSt7replaceIN9__gnu_cxx17__normal_iteratorIPcNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEEEcEvT_SA_RKT0_SD_(ptr %336, ptr %338, ptr noundef nonnull align 1 dereferenceable(1) %43, ptr noundef nonnull align 1 dereferenceable(1) %44)
          to label %339 unwind label %360

339:                                              ; preds = %330
  call void @llvm.lifetime.end.p0(i64 1, ptr %44) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %43) #7
  call void @llvm.lifetime.start.p0(i64 384, ptr %45) #7
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %45, ptr noundef nonnull align 8 dereferenceable(32) %15, i32 noundef 8)
          to label %340 unwind label %364

340:                                              ; preds = %339
  call void @llvm.lifetime.start.p0(i64 8, ptr %46) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %47) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %48) #7
  %341 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %45, ptr noundef nonnull align 8 dereferenceable(8) %46)
          to label %342 unwind label %368

342:                                              ; preds = %340
  %343 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %341, ptr noundef nonnull align 8 dereferenceable(8) %47)
          to label %344 unwind label %368

344:                                              ; preds = %342
  %345 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %343, ptr noundef nonnull align 8 dereferenceable(8) %48)
          to label %346 unwind label %368

346:                                              ; preds = %344
  %347 = load double, ptr %46, align 8, !tbaa !16
  %348 = load double, ptr %47, align 8, !tbaa !16
  invoke void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56) %34, double noundef %347, double noundef %348)
          to label %349 unwind label %368

349:                                              ; preds = %346
  %350 = load double, ptr %46, align 8, !tbaa !16
  %351 = load double, ptr %48, align 8, !tbaa !16
  invoke void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56) %37, double noundef %350, double noundef %351)
          to label %352 unwind label %368

352:                                              ; preds = %349
  call void @llvm.lifetime.end.p0(i64 8, ptr %48) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %47) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %46) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %45) #7
  call void @llvm.lifetime.end.p0(i64 384, ptr %45) #7
  br label %353

353:                                              ; preds = %352
  %354 = load i64, ptr %40, align 8, !tbaa !14
  %355 = add i64 %354, 1
  store i64 %355, ptr %40, align 8, !tbaa !14
  br label %295, !llvm.loop !19

356:                                              ; preds = %328
  %357 = landingpad { ptr, i32 }
          cleanup
  %358 = extractvalue { ptr, i32 } %357, 0
  store ptr %358, ptr %6, align 8
  %359 = extractvalue { ptr, i32 } %357, 1
  store i32 %359, ptr %7, align 4
  br label %373

360:                                              ; preds = %330
  %361 = landingpad { ptr, i32 }
          cleanup
  %362 = extractvalue { ptr, i32 } %361, 0
  store ptr %362, ptr %6, align 8
  %363 = extractvalue { ptr, i32 } %361, 1
  store i32 %363, ptr %7, align 4
  call void @llvm.lifetime.end.p0(i64 1, ptr %44) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %43) #7
  br label %373

364:                                              ; preds = %339
  %365 = landingpad { ptr, i32 }
          cleanup
  %366 = extractvalue { ptr, i32 } %365, 0
  store ptr %366, ptr %6, align 8
  %367 = extractvalue { ptr, i32 } %365, 1
  store i32 %367, ptr %7, align 4
  br label %372

368:                                              ; preds = %349, %346, %344, %342, %340
  %369 = landingpad { ptr, i32 }
          cleanup
  %370 = extractvalue { ptr, i32 } %369, 0
  store ptr %370, ptr %6, align 8
  %371 = extractvalue { ptr, i32 } %369, 1
  store i32 %371, ptr %7, align 4
  call void @llvm.lifetime.end.p0(i64 8, ptr %48) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %47) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %46) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %45) #7
  br label %372

372:                                              ; preds = %368, %364
  call void @llvm.lifetime.end.p0(i64 384, ptr %45) #7
  br label %373

373:                                              ; preds = %372, %360, %356
  call void @llvm.lifetime.end.p0(i64 8, ptr %40) #7
  br label %381

374:                                              ; preds = %299
  invoke void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56) %16, ptr noundef nonnull align 8 dereferenceable(56) %34)
          to label %375 unwind label %377

375:                                              ; preds = %374
  invoke void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56) %16, ptr noundef nonnull align 8 dereferenceable(56) %37)
          to label %376 unwind label %377

376:                                              ; preds = %375
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %37) #7
  call void @llvm.lifetime.end.p0(i64 56, ptr %37) #7
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %34) #7
  call void @llvm.lifetime.end.p0(i64 56, ptr %34) #7
  br label %420

377:                                              ; preds = %375, %374
  %378 = landingpad { ptr, i32 }
          cleanup
  %379 = extractvalue { ptr, i32 } %378, 0
  store ptr %379, ptr %6, align 8
  %380 = extractvalue { ptr, i32 } %378, 1
  store i32 %380, ptr %7, align 4
  br label %381

381:                                              ; preds = %377, %373
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %37) #7
  br label %382

382:                                              ; preds = %381, %327
  call void @llvm.lifetime.end.p0(i64 56, ptr %37) #7
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %34) #7
  br label %383

383:                                              ; preds = %382, %313
  call void @llvm.lifetime.end.p0(i64 56, ptr %34) #7
  br label %422

384:                                              ; preds = %281
  store i1 true, ptr %54, align 1
  %385 = call ptr @__cxa_allocate_exception(i64 144) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %49) #7
  invoke void @_ZStplIcSt11char_traitsIcESaIcEENSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_RKS8_(ptr dead_on_unwind writable sret(%"class.std::__cxx11::basic_string") align 8 %49, ptr noundef @.str.135, ptr noundef nonnull align 8 dereferenceable(32) %23)
          to label %386 unwind label %398

386:                                              ; preds = %384
  call void @llvm.lifetime.start.p0(i64 32, ptr %50) #7
  %387 = call noundef ptr @strrchr(ptr noundef @.str.133, i32 noundef 47) #8
  %388 = icmp ne ptr %387, null
  br i1 %388, label %389, label %392

389:                                              ; preds = %386
  %390 = call noundef ptr @strrchr(ptr noundef @.str.133, i32 noundef 47) #8
  %391 = getelementptr inbounds i8, ptr %390, i64 1
  br label %393

392:                                              ; preds = %386
  br label %393

393:                                              ; preds = %392, %389
  %394 = phi ptr [ %391, %389 ], [ @.str.133, %392 ]
  call void @llvm.lifetime.start.p0(i64 1, ptr %51) #7
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %51) #7
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %50, ptr noundef %394, ptr noundef nonnull align 1 dereferenceable(1) %51)
          to label %395 unwind label %402

395:                                              ; preds = %393
  call void @llvm.lifetime.start.p0(i64 32, ptr %52) #7
  call void @llvm.lifetime.start.p0(i64 1, ptr %53) #7
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %53) #7
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %52, ptr noundef @__func__._ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE, ptr noundef nonnull align 1 dereferenceable(1) %53)
          to label %396 unwind label %406

396:                                              ; preds = %395
  invoke void @_ZN5gansu9ExceptionC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES8_iS8_(ptr noundef nonnull align 8 dereferenceable(144) %385, ptr noundef nonnull align 8 dereferenceable(32) %49, ptr noundef nonnull align 8 dereferenceable(32) %50, i32 noundef 113, ptr noundef nonnull align 8 dereferenceable(32) %52)
          to label %397 unwind label %410

397:                                              ; preds = %396
  store i1 false, ptr %54, align 1
  invoke void @__cxa_throw(ptr %385, ptr @_ZTIN5gansu9ExceptionE, ptr @_ZN5gansu9ExceptionD2Ev) #9
          to label %443 unwind label %410

398:                                              ; preds = %384
  %399 = landingpad { ptr, i32 }
          cleanup
  %400 = extractvalue { ptr, i32 } %399, 0
  store ptr %400, ptr %6, align 8
  %401 = extractvalue { ptr, i32 } %399, 1
  store i32 %401, ptr %7, align 4
  br label %416

402:                                              ; preds = %393
  %403 = landingpad { ptr, i32 }
          cleanup
  %404 = extractvalue { ptr, i32 } %403, 0
  store ptr %404, ptr %6, align 8
  %405 = extractvalue { ptr, i32 } %403, 1
  store i32 %405, ptr %7, align 4
  br label %415

406:                                              ; preds = %395
  %407 = landingpad { ptr, i32 }
          cleanup
  %408 = extractvalue { ptr, i32 } %407, 0
  store ptr %408, ptr %6, align 8
  %409 = extractvalue { ptr, i32 } %407, 1
  store i32 %409, ptr %7, align 4
  br label %414

410:                                              ; preds = %397, %396
  %411 = landingpad { ptr, i32 }
          cleanup
  %412 = extractvalue { ptr, i32 } %411, 0
  store ptr %412, ptr %6, align 8
  %413 = extractvalue { ptr, i32 } %411, 1
  store i32 %413, ptr %7, align 4
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %52) #7
  br label %414

414:                                              ; preds = %410, %406
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %53) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %53) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %52) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %50) #7
  br label %415

415:                                              ; preds = %414, %402
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %51) #7
  call void @llvm.lifetime.end.p0(i64 1, ptr %51) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %50) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %49) #7
  br label %416

416:                                              ; preds = %415, %398
  call void @llvm.lifetime.end.p0(i64 32, ptr %49) #7
  %417 = load i1, ptr %54, align 1
  br i1 %417, label %418, label %419

418:                                              ; preds = %416
  call void @__cxa_free_exception(ptr %385) #7
  br label %419

419:                                              ; preds = %418, %416
  br label %422

420:                                              ; preds = %376
  br label %421

421:                                              ; preds = %420, %274
  call void @llvm.lifetime.end.p0(i64 8, ptr %24) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %23) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %23) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %22) #7
  call void @llvm.lifetime.end.p0(i64 384, ptr %22) #7
  br label %183, !llvm.loop !20

422:                                              ; preds = %419, %383, %280, %224
  call void @llvm.lifetime.end.p0(i64 8, ptr %24) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %23) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %23) #7
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %22) #7
  br label %423

423:                                              ; preds = %422, %220
  call void @llvm.lifetime.end.p0(i64 384, ptr %22) #7
  br label %433

424:                                              ; preds = %195, %191
  br label %156, !llvm.loop !21

425:                                              ; preds = %162
  %426 = invoke noundef nonnull align 8 dereferenceable(32) ptr @_ZNK5gansu15ElementBasisSet16get_element_nameB5cxx11Ev(ptr noundef nonnull align 8 dereferenceable(56) %16)
          to label %427 unwind label %146

427:                                              ; preds = %425
  %428 = call noundef zeroext i1 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5emptyEv(ptr noundef nonnull align 8 dereferenceable(32) %426) #7
  br i1 %428, label %431, label %429

429:                                              ; preds = %427
  invoke void @_ZN5gansu8BasisSet21add_element_basis_setERKNS_15ElementBasisSetE(ptr noundef nonnull align 8 dereferenceable(56) %0, ptr noundef nonnull align 8 dereferenceable(56) %16)
          to label %430 unwind label %146

430:                                              ; preds = %429
  br label %431

431:                                              ; preds = %430, %427
  store i1 true, ptr %14, align 1
  call void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %16) #7
  call void @llvm.lifetime.end.p0(i64 56, ptr %16) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %15) #7
  %432 = load i1, ptr %14, align 1
  br i1 %432, label %436, label %435

433:                                              ; preds = %423, %204, %172, %150, %146
  call void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %16) #7
  br label %434

434:                                              ; preds = %433, %142
  call void @llvm.lifetime.end.p0(i64 56, ptr %16) #7
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %15) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %15) #7
  call void @_ZN5gansu8BasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %0) #7
  br label %437

435:                                              ; preds = %431
  call void @_ZN5gansu8BasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %0) #7
  br label %436

436:                                              ; preds = %435, %431
  call void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(256) %5) #7
  call void @llvm.lifetime.end.p0(i64 520, ptr %5) #7
  ret void

437:                                              ; preds = %434, %102, %77
  call void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(256) %5) #7
  call void @llvm.lifetime.end.p0(i64 520, ptr %5) #7
  br label %438

438:                                              ; preds = %437
  %439 = load ptr, ptr %6, align 8
  %440 = load i32, ptr %7, align 4
  %441 = insertvalue { ptr, i32 } poison, ptr %439, 0
  %442 = insertvalue { ptr, i32 } %441, i32 %440, 1
  resume { ptr, i32 } %442

443:                                              ; preds = %397, %76
  unreachable
}

; Function Attrs: mustprogress uwtable
declare void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEEC1ERKNSt7__cxx1112basic_stringIcS1_SaIcEEESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(256), ptr noundef nonnull align 8 dereferenceable(32), i32 noundef) unnamed_addr #2 align 2

; Function Attrs: mustprogress uwtable
declare noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEntEv(ptr noundef nonnull align 8 dereferenceable(264)) #2 align 2

declare ptr @__cxa_allocate_exception(i64)

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZStplIcSt11char_traitsIcESaIcEENSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_RKS8_(ptr dead_on_unwind noalias writable sret(%"class.std::__cxx11::basic_string") align 8, ptr noundef, ptr noundef nonnull align 8 dereferenceable(32)) #2

; Function Attrs: nounwind willreturn memory(read)
declare noundef ptr @strrchr(ptr noundef, i32 noundef) #3

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu9ExceptionC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES8_iS8_(ptr noundef nonnull align 8 dereferenceable(144), ptr noundef nonnull align 8 dereferenceable(32), ptr noundef nonnull align 8 dereferenceable(32), i32 noundef, ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu9ExceptionD2Ev(ptr noundef nonnull align 8 dereferenceable(144)) unnamed_addr #4 align 2

declare void @__cxa_throw(ptr, ptr, ptr)

declare void @__cxa_free_exception(ptr)

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu8BasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu15ElementBasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #1 align 2

; Function Attrs: inlinehint mustprogress uwtable
declare noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(32)) #5

; Function Attrs: mustprogress uwtable
declare noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEcvbEv(ptr noundef nonnull align 8 dereferenceable(264)) #2 align 2

; Function Attrs: nounwind willreturn memory(read)
declare i32 @isalpha(i32 noundef) #3

; Function Attrs: mustprogress nounwind uwtable
declare noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32), i64 noundef) #1 align 2

declare noundef nonnull align 8 dereferenceable(16) ptr @_ZNSi5seekgESt4fposI11__mbstate_tE(ptr noundef nonnull align 8 dereferenceable(16), i64, i64) #6

declare { i64, i64 } @_ZNSi5tellgEv(ptr noundef nonnull align 8 dereferenceable(16)) #6

; Function Attrs: mustprogress uwtable
declare dso_local { i64, i64 } @_ZNKSt4fposI11__mbstate_tEmiEl(ptr noundef nonnull align 8 dereferenceable(16), i64 noundef) #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(32)) #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEE3eofEv(ptr noundef nonnull align 8 dereferenceable(264)) #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local noundef nonnull align 8 dereferenceable(32) ptr @_ZNK5gansu15ElementBasisSet16get_element_nameB5cxx11Ev(ptr noundef nonnull align 8 dereferenceable(56)) #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef zeroext i1 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5emptyEv(ptr noundef nonnull align 8 dereferenceable(32)) #1 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu8BasisSet21add_element_basis_setERKNS_15ElementBasisSetE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(56)) #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local noundef nonnull align 8 dereferenceable(56) ptr @_ZN5gansu15ElementBasisSetaSEOS0_(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(56)) #4 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress uwtable
declare void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120), ptr noundef nonnull align 8 dereferenceable(32), i32 noundef) unnamed_addr #2 align 2

declare noundef nonnull align 8 dereferenceable(16) ptr @_ZStrsIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(32)) #6

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ElementBasisSet16set_element_nameERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(32)) #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120)) unnamed_addr #1 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local noundef zeroext i1 @_ZSteqIcSt11char_traitsIcESaIcEEbRKNSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_(ptr noundef nonnull align 8 dereferenceable(32), ptr noundef) #4

; Function Attrs: mustprogress uwtable
declare noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERm(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(8)) #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE6lengthEv(ptr noundef nonnull align 8 dereferenceable(32)) #1 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZSt7replaceIN9__gnu_cxx17__normal_iteratorIPcNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEEEcEvT_SA_RKT0_SD_(ptr, ptr, ptr noundef nonnull align 1 dereferenceable(1), ptr noundef nonnull align 1 dereferenceable(1)) #1

; Function Attrs: mustprogress nounwind uwtable
declare ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5beginEv(ptr noundef nonnull align 8 dereferenceable(32)) #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE3endEv(ptr noundef nonnull align 8 dereferenceable(32)) #1 align 2

; Function Attrs: mustprogress uwtable
declare noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(8)) #2 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56), double noundef, double noundef) #2 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(56)) #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEmcRKS3_(ptr noundef nonnull align 8 dereferenceable(32), i64 noundef, i8 noundef signext, ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu8BasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(256)) unnamed_addr #1 align 2

attributes #0 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { mustprogress nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #2 = { mustprogress uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #3 = { nounwind willreturn memory(read) "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #4 = { inlinehint mustprogress nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #5 = { inlinehint mustprogress uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #6 = { "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #7 = { nounwind }
attributes #8 = { nounwind willreturn memory(read) }
attributes #9 = { noreturn }

!llvm.module.flags = !{!0, !1, !2, !3}
!llvm.ident = !{!4}

!0 = !{i32 1, !"wchar_size", i32 4}
!1 = !{i32 8, !"PIC Level", i32 2}
!2 = !{i32 7, !"PIE Level", i32 2}
!3 = !{i32 7, !"uwtable", i32 2}
!4 = !{!"clang version 19.1.0 (git@github.com:llvm/llvm-project.git a4bf6cd7cfb1a1421ba92bca9d017b49936c55e4)"}
!5 = !{!6, !6, i64 0}
!6 = !{!"any pointer", !7, i64 0}
!7 = !{!"omnipotent char", !8, i64 0}
!8 = !{!"Simple C++ TBAA"}
!9 = !{!10, !10, i64 0}
!10 = !{!"vtable pointer", !8, i64 0}
!11 = !{!7, !7, i64 0}
!12 = distinct !{!12, !13}
!13 = !{!"llvm.loop.mustprogress"}
!14 = !{!15, !15, i64 0}
!15 = !{!"long", !7, i64 0}
!16 = !{!17, !17, i64 0}
!17 = !{!"double", !7, i64 0}
!18 = distinct !{!18, !13}
!19 = distinct !{!19, !13}
!20 = distinct !{!20, !13}
!21 = distinct !{!21, !13}


; Optimized IR (opt -passes='default<O3>'):
target datalayout = "e-m:e-p270:32:32-p271:32:32-p272:64:64-i64:64-i128:128-f80:128-n8:16:32:64-S128"
target triple = "x86_64-unknown-linux-gnu"

%"class.gansu::BasisSet" = type { %"class.std::unordered_map.30" }
%"class.std::unordered_map.30" = type { %"class.std::_Hashtable.31" }
%"class.std::_Hashtable.31" = type { ptr, i64, %"struct.std::__detail::_Hash_node_base", i64, %"struct.std::__detail::_Prime_rehash_policy", ptr }
%"struct.std::__detail::_Hash_node_base" = type { ptr }
%"struct.std::__detail::_Prime_rehash_policy" = type { float, i64 }
%"class.std::basic_ifstream" = type { %"class.std::basic_istream.base", %"class.std::basic_filebuf", %"class.std::basic_ios" }
%"class.std::basic_istream.base" = type { ptr, i64 }
%"class.std::basic_filebuf" = type { %"class.std::basic_streambuf", %union.pthread_mutex_t, %"class.std::__basic_file", i32, %struct.__mbstate_t, %struct.__mbstate_t, %struct.__mbstate_t, ptr, i64, i8, i8, i8, i8, ptr, ptr, i8, ptr, ptr, i64, ptr, ptr }
%"class.std::basic_streambuf" = type { ptr, ptr, ptr, ptr, ptr, ptr, ptr, %"class.std::locale" }
%"class.std::locale" = type { ptr }
%union.pthread_mutex_t = type { %struct.__pthread_mutex_s }
%struct.__pthread_mutex_s = type { i32, i32, i32, i32, i32, i16, i16, %struct.__pthread_internal_list }
%struct.__pthread_internal_list = type { ptr, ptr }
%"class.std::__basic_file" = type <{ ptr, i8, [7 x i8] }>
%struct.__mbstate_t = type { i32, %union.anon.44 }
%union.anon.44 = type { i32 }
%"class.std::basic_ios" = type { %"class.std::ios_base", ptr, i8, i8, ptr, ptr, ptr, ptr }
%"class.std::ios_base" = type { ptr, i64, i64, i32, i32, i32, ptr, %"struct.std::ios_base::_Words", [8 x %"struct.std::ios_base::_Words"], i32, ptr, %"class.std::locale" }
%"struct.std::ios_base::_Words" = type { ptr, i64 }
%"class.std::__cxx11::basic_string" = type { %"struct.std::__cxx11::basic_string<char>::_Alloc_hider", i64, %union.anon }
%"struct.std::__cxx11::basic_string<char>::_Alloc_hider" = type { ptr }
%union.anon = type { i64, [8 x i8] }
%"class.std::allocator.2" = type { i8 }
%"class.gansu::ElementBasisSet" = type { %"class.std::__cxx11::basic_string", %"class.std::vector.45" }
%"class.std::vector.45" = type { %"struct.std::_Vector_base.46" }
%"struct.std::_Vector_base.46" = type { %"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl" }
%"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl" = type { %"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl_data" }
%"struct.std::_Vector_base<gansu::ContractedGauss, std::allocator<gansu::ContractedGauss>>::_Vector_impl_data" = type { ptr, ptr, ptr }
%"class.std::fpos" = type { i64, %struct.__mbstate_t }
%"class.std::__cxx11::basic_istringstream" = type { %"class.std::basic_istream.base", %"class.std::__cxx11::basic_stringbuf", %"class.std::basic_ios" }
%"class.std::__cxx11::basic_stringbuf" = type { %"class.std::basic_streambuf", i32, %"class.std::__cxx11::basic_string" }
%"class.gansu::ContractedGauss" = type { %"class.std::__cxx11::basic_string", %"class.std::vector.50" }
%"class.std::vector.50" = type { %"struct.std::_Vector_base.51" }
%"struct.std::_Vector_base.51" = type { %"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl" }
%"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl" = type { %"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl_data" }
%"struct.std::_Vector_base<gansu::PrimitiveGauss, std::allocator<gansu::PrimitiveGauss>>::_Vector_impl_data" = type { ptr, ptr, ptr }

@.str.132 = external hidden unnamed_addr constant [29 x i8], align 1
@.str.133 = external hidden unnamed_addr constant [69 x i8], align 1
@__func__._ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE = external hidden unnamed_addr constant [19 x i8], align 1
@_ZTIN5gansu9ExceptionE = external dso_local constant { ptr, ptr, ptr }, align 8
@.str.134 = external hidden unnamed_addr constant [5 x i8], align 1
@.str.135 = external hidden unnamed_addr constant [30 x i8], align 1

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #0

declare i32 @__gxx_personality_v0(...)

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #0

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32), ptr noundef, ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
define dso_local void @_ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr dead_on_unwind noalias writable sret(%"class.gansu::BasisSet") align 8 %0, ptr noundef nonnull align 8 dereferenceable(32) %1) local_unnamed_addr #2 align 2 personality ptr @__gxx_personality_v0 {
  %3 = alloca %"class.std::basic_ifstream", align 8
  %4 = alloca %"class.std::__cxx11::basic_string", align 8
  %5 = alloca %"class.std::__cxx11::basic_string", align 8
  %6 = alloca %"class.std::allocator.2", align 1
  %7 = alloca %"class.std::__cxx11::basic_string", align 8
  %8 = alloca %"class.std::allocator.2", align 1
  %9 = alloca %"class.std::__cxx11::basic_string", align 8
  %10 = alloca %"class.gansu::ElementBasisSet", align 8
  %11 = alloca %"class.std::fpos", align 8
  %12 = alloca %"class.gansu::ElementBasisSet", align 8
  %13 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %14 = alloca %"class.std::__cxx11::basic_string", align 8
  %15 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %16 = alloca %"class.std::__cxx11::basic_string", align 8
  %17 = alloca i64, align 8
  %18 = alloca %"class.gansu::ContractedGauss", align 8
  %19 = alloca i8, align 1
  %20 = alloca i8, align 1
  %21 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %22 = alloca double, align 8
  %23 = alloca double, align 8
  %24 = alloca %"class.gansu::ContractedGauss", align 8
  %25 = alloca %"class.std::__cxx11::basic_string", align 8
  %26 = alloca %"class.std::allocator.2", align 1
  %27 = alloca %"class.gansu::ContractedGauss", align 8
  %28 = alloca %"class.std::__cxx11::basic_string", align 8
  %29 = alloca %"class.std::allocator.2", align 1
  %30 = alloca i8, align 1
  %31 = alloca i8, align 1
  %32 = alloca %"class.std::__cxx11::basic_istringstream", align 8
  %33 = alloca double, align 8
  %34 = alloca double, align 8
  %35 = alloca double, align 8
  %36 = alloca %"class.std::__cxx11::basic_string", align 8
  %37 = alloca %"class.std::__cxx11::basic_string", align 8
  %38 = alloca %"class.std::allocator.2", align 1
  %39 = alloca %"class.std::__cxx11::basic_string", align 8
  %40 = alloca %"class.std::allocator.2", align 1
  call void @llvm.lifetime.start.p0(i64 520, ptr nonnull %3) #8
  call void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEEC1ERKNSt7__cxx1112basic_stringIcS1_SaIcEEESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(256) %3, ptr noundef nonnull align 8 dereferenceable(32) %1, i32 noundef 8)
  %41 = load ptr, ptr %3, align 8, !tbaa !5
  %42 = getelementptr i8, ptr %41, i64 -24
  %43 = load i64, ptr %42, align 8
  %44 = getelementptr inbounds i8, ptr %3, i64 %43
  %45 = invoke noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEntEv(ptr noundef nonnull align 8 dereferenceable(264) %44)
          to label %46 unwind label %55

46:                                               ; preds = %2
  br i1 %45, label %47, label %67

47:                                               ; preds = %46
  %48 = call ptr @__cxa_allocate_exception(i64 144) #8
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %4) #8
  invoke void @_ZStplIcSt11char_traitsIcESaIcEENSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_RKS8_(ptr dead_on_unwind nonnull writable sret(%"class.std::__cxx11::basic_string") align 8 %4, ptr noundef nonnull @.str.132, ptr noundef nonnull align 8 dereferenceable(32) %1)
          to label %49 unwind label %.thread

49:                                               ; preds = %47
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %5) #8
  %50 = call noundef ptr @strrchr(ptr noundef nonnull dereferenceable(1) @.str.133, i32 noundef 47) #9
  %.not72 = icmp eq ptr %50, null
  %51 = getelementptr inbounds i8, ptr %50, i64 1
  %spec.select = select i1 %.not72, ptr @.str.133, ptr %51
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %6) #8
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %6) #8
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %5, ptr noundef nonnull %spec.select, ptr noundef nonnull align 1 dereferenceable(1) %6)
          to label %52 unwind label %58

52:                                               ; preds = %49
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %7) #8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %8) #8
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %8) #8
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %7, ptr noundef nonnull @__func__._ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE, ptr noundef nonnull align 1 dereferenceable(1) %8)
          to label %53 unwind label %60

53:                                               ; preds = %52
  invoke void @_ZN5gansu9ExceptionC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES8_iS8_(ptr noundef nonnull align 8 dereferenceable(144) %48, ptr noundef nonnull align 8 dereferenceable(32) %4, ptr noundef nonnull align 8 dereferenceable(32) %5, i32 noundef 35, ptr noundef nonnull align 8 dereferenceable(32) %7)
          to label %54 unwind label %62

54:                                               ; preds = %53
  invoke void @__cxa_throw(ptr nonnull %48, ptr nonnull @_ZTIN5gansu9ExceptionE, ptr nonnull @_ZN5gansu9ExceptionD2Ev) #10
          to label %263 unwind label %62

55:                                               ; preds = %2
  %56 = landingpad { ptr, i32 }
          cleanup
  br label %262

.thread:                                          ; preds = %47
  %57 = landingpad { ptr, i32 }
          cleanup
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %4) #8
  br label %66

58:                                               ; preds = %49
  %59 = landingpad { ptr, i32 }
          cleanup
  br label %65

60:                                               ; preds = %52
  %61 = landingpad { ptr, i32 }
          cleanup
  br label %64

62:                                               ; preds = %54, %53
  %.041 = phi i1 [ false, %54 ], [ true, %53 ]
  %63 = landingpad { ptr, i32 }
          cleanup
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %7) #8
  br label %64

64:                                               ; preds = %62, %60
  %.142 = phi i1 [ %.041, %62 ], [ true, %60 ]
  %.pn73 = phi { ptr, i32 } [ %63, %62 ], [ %61, %60 ]
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %8) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %8) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %7) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %5) #8
  br label %65

65:                                               ; preds = %58, %64
  %.243 = phi i1 [ %.142, %64 ], [ true, %58 ]
  %.pn73.pn = phi { ptr, i32 } [ %.pn73, %64 ], [ %59, %58 ]
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %6) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %6) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %5) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %4) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %4) #8
  br i1 %.243, label %66, label %262

66:                                               ; preds = %.thread, %65
  %.pn73.pn.pn81 = phi { ptr, i32 } [ %57, %.thread ], [ %.pn73.pn, %65 ]
  call void @__cxa_free_exception(ptr %48) #8
  br label %262

67:                                               ; preds = %46
  call void @_ZN5gansu8BasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56) %0) #8
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %9) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  call void @llvm.lifetime.start.p0(i64 56, ptr nonnull %10) #8
  call void @_ZN5gansu15ElementBasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56) %10)
  br label %68

68:                                               ; preds = %77, %67
  %69 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %3, ptr noundef nonnull align 8 dereferenceable(32) %9)
          to label %70 unwind label %.loopexit.split-lp.loopexit.split-lp.loopexit

70:                                               ; preds = %68
  %71 = load ptr, ptr %69, align 8, !tbaa !5
  %72 = getelementptr i8, ptr %71, i64 -24
  %73 = load i64, ptr %72, align 8
  %74 = getelementptr inbounds i8, ptr %69, i64 %73
  %75 = invoke noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEcvbEv(ptr noundef nonnull align 8 dereferenceable(264) %74)
          to label %76 unwind label %.loopexit.split-lp.loopexit.split-lp.loopexit

76:                                               ; preds = %70
  br i1 %75, label %77, label %.loopexit91

77:                                               ; preds = %76
  %78 = call noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32) %9, i64 noundef 0)
  %79 = load i8, ptr %78, align 1, !tbaa !8
  %80 = sext i8 %79 to i32
  %81 = call i32 @isalpha(i32 noundef %80) #9
  %.not = icmp eq i32 %81, 0
  br i1 %.not, label %68, label %82, !llvm.loop !10

82:                                               ; preds = %77
  call void @llvm.lifetime.start.p0(i64 16, ptr nonnull %11) #8
  %83 = invoke { i64, i64 } @_ZNSi5tellgEv(ptr noundef nonnull align 8 dereferenceable(16) %3)
          to label %84 unwind label %96

84:                                               ; preds = %82
  %85 = extractvalue { i64, i64 } %83, 0
  store i64 %85, ptr %11, align 8
  %86 = getelementptr inbounds i8, ptr %11, i64 8
  %87 = extractvalue { i64, i64 } %83, 1
  store i64 %87, ptr %86, align 8
  %88 = call noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  %89 = add i64 %88, 1
  %90 = invoke { i64, i64 } @_ZNKSt4fposI11__mbstate_tEmiEl(ptr noundef nonnull align 8 dereferenceable(16) %11, i64 noundef %89)
          to label %91 unwind label %96

91:                                               ; preds = %84
  %92 = extractvalue { i64, i64 } %90, 0
  %93 = extractvalue { i64, i64 } %90, 1
  %94 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSi5seekgESt4fposI11__mbstate_tE(ptr noundef nonnull align 8 dereferenceable(16) %3, i64 %92, i64 %93)
          to label %95 unwind label %96

95:                                               ; preds = %91
  call void @llvm.lifetime.end.p0(i64 16, ptr nonnull %11) #8
  br label %.loopexit91

.loopexit:                                        ; preds = %115, %117
  %lpad.loopexit = landingpad { ptr, i32 }
          cleanup
  br label %.loopexit.split-lp

.loopexit.split-lp.loopexit:                      ; preds = %108, %105
  %lpad.loopexit86 = landingpad { ptr, i32 }
          cleanup
  br label %.loopexit.split-lp

.loopexit.split-lp.loopexit.split-lp.loopexit:    ; preds = %68, %70
  %lpad.loopexit89 = landingpad { ptr, i32 }
          cleanup
  br label %.loopexit.split-lp

.loopexit.split-lp.loopexit.split-lp.loopexit.split-lp: ; preds = %260
  %lpad.loopexit.split-lp = landingpad { ptr, i32 }
          cleanup
  br label %.loopexit.split-lp

96:                                               ; preds = %91, %84, %82
  %97 = landingpad { ptr, i32 }
          cleanup
  call void @llvm.lifetime.end.p0(i64 16, ptr nonnull %11) #8
  br label %.loopexit.split-lp

.loopexit91:                                      ; preds = %76, %95
  %98 = load ptr, ptr %3, align 8, !tbaa !5
  %99 = getelementptr i8, ptr %98, i64 -24
  %100 = load i64, ptr %99, align 8
  %101 = getelementptr inbounds i8, ptr %3, i64 %100
  %102 = call noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEE3eofEv(ptr noundef nonnull align 8 dereferenceable(264) %101)
  br i1 %102, label %._crit_edge98, label %.lr.ph97

.lr.ph97:                                         ; preds = %.loopexit91, %252
  %103 = call noundef nonnull align 8 dereferenceable(32) ptr @_ZNK5gansu15ElementBasisSet16get_element_nameB5cxx11Ev(ptr noundef nonnull align 8 dereferenceable(56) %10)
  %104 = call noundef zeroext i1 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5emptyEv(ptr noundef nonnull align 8 dereferenceable(32) %103) #8
  br i1 %104, label %108, label %105

105:                                              ; preds = %.lr.ph97
  invoke void @_ZN5gansu8BasisSet21add_element_basis_setERKNS_15ElementBasisSetE(ptr noundef nonnull align 8 dereferenceable(56) %0, ptr noundef nonnull align 8 dereferenceable(56) %10)
          to label %106 unwind label %.loopexit.split-lp.loopexit

106:                                              ; preds = %105
  call void @llvm.lifetime.start.p0(i64 56, ptr nonnull %12) #8
  call void @_ZN5gansu15ElementBasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56) %12)
  %107 = call noundef nonnull align 8 dereferenceable(56) ptr @_ZN5gansu15ElementBasisSetaSEOS0_(ptr noundef nonnull align 8 dereferenceable(56) %10, ptr noundef nonnull align 8 dereferenceable(56) %12) #8
  call void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %12) #8
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %12) #8
  br label %108

108:                                              ; preds = %106, %.lr.ph97
  %109 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %3, ptr noundef nonnull align 8 dereferenceable(32) %9)
          to label %110 unwind label %.loopexit.split-lp.loopexit

110:                                              ; preds = %108
  call void @llvm.lifetime.start.p0(i64 384, ptr nonnull %13) #8
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %13, ptr noundef nonnull align 8 dereferenceable(32) %9, i32 noundef 8)
          to label %111 unwind label %126

111:                                              ; preds = %110
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %14) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32) %14) #8
  %112 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZStrsIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %13, ptr noundef nonnull align 8 dereferenceable(32) %14)
          to label %113 unwind label %128

113:                                              ; preds = %111
  invoke void @_ZN5gansu15ElementBasisSet16set_element_nameERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %10, ptr noundef nonnull align 8 dereferenceable(32) %14)
          to label %114 unwind label %128

114:                                              ; preds = %113
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %14) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %14) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %13) #8
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %13) #8
  br label %115

115:                                              ; preds = %249, %114
  %116 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %3, ptr noundef nonnull align 8 dereferenceable(32) %9)
          to label %117 unwind label %.loopexit

117:                                              ; preds = %115
  %118 = load ptr, ptr %116, align 8, !tbaa !5
  %119 = getelementptr i8, ptr %118, i64 -24
  %120 = load i64, ptr %119, align 8
  %121 = getelementptr inbounds i8, ptr %116, i64 %120
  %122 = invoke noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEcvbEv(ptr noundef nonnull align 8 dereferenceable(264) %121)
          to label %123 unwind label %.loopexit

123:                                              ; preds = %117
  br i1 %122, label %124, label %252

124:                                              ; preds = %123
  %125 = call noundef zeroext i1 @_ZSteqIcSt11char_traitsIcESaIcEEbRKNSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_(ptr noundef nonnull align 8 dereferenceable(32) %9, ptr noundef nonnull @.str.134)
  br i1 %125, label %252, label %131

126:                                              ; preds = %110
  %127 = landingpad { ptr, i32 }
          cleanup
  br label %130

128:                                              ; preds = %113, %111
  %129 = landingpad { ptr, i32 }
          cleanup
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %14) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %14) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %13) #8
  br label %130

130:                                              ; preds = %128, %126
  %.pn = phi { ptr, i32 } [ %129, %128 ], [ %127, %126 ]
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %13) #8
  br label %.loopexit.split-lp

131:                                              ; preds = %124
  call void @llvm.lifetime.start.p0(i64 384, ptr nonnull %15) #8
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %15, ptr noundef nonnull align 8 dereferenceable(32) %9, i32 noundef 8)
          to label %132 unwind label %141

132:                                              ; preds = %131
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %16) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32) %16) #8
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %17) #8
  %133 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZStrsIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %15, ptr noundef nonnull align 8 dereferenceable(32) %16)
          to label %134 unwind label %143

134:                                              ; preds = %132
  %135 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERm(ptr noundef nonnull align 8 dereferenceable(16) %133, ptr noundef nonnull align 8 dereferenceable(8) %17)
          to label %136 unwind label %143

136:                                              ; preds = %134
  %137 = call noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE6lengthEv(ptr noundef nonnull align 8 dereferenceable(32) %16) #8
  %138 = icmp eq i64 %137, 1
  br i1 %138, label %139, label %174

139:                                              ; preds = %136
  call void @llvm.lifetime.start.p0(i64 56, ptr nonnull %18) #8
  invoke void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %18, ptr noundef nonnull align 8 dereferenceable(32) %16)
          to label %.preheader unwind label %145

.preheader:                                       ; preds = %139
  %140 = load i64, ptr %17, align 8, !tbaa !12
  %.not100 = icmp eq i64 %140, 0
  br i1 %.not100, label %._crit_edge95, label %.lr.ph94

._crit_edge95:                                    ; preds = %158, %.preheader
  invoke void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56) %10, ptr noundef nonnull align 8 dereferenceable(56) %18)
          to label %169 unwind label %170

141:                                              ; preds = %131
  %142 = landingpad { ptr, i32 }
          cleanup
  br label %251

143:                                              ; preds = %134, %132
  %144 = landingpad { ptr, i32 }
          cleanup
  br label %250

145:                                              ; preds = %139
  %146 = landingpad { ptr, i32 }
          cleanup
  br label %173

.lr.ph94:                                         ; preds = %.preheader, %158
  %.04593 = phi i64 [ %159, %158 ], [ 0, %.preheader ]
  %147 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %3, ptr noundef nonnull align 8 dereferenceable(32) %9)
          to label %148 unwind label %162

148:                                              ; preds = %.lr.ph94
  %149 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5beginEv(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  %150 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE3endEv(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %19) #8
  store i8 68, ptr %19, align 1, !tbaa !8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %20) #8
  store i8 69, ptr %20, align 1, !tbaa !8
  call void @_ZSt7replaceIN9__gnu_cxx17__normal_iteratorIPcNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEEEcEvT_SA_RKT0_SD_(ptr %149, ptr %150, ptr noundef nonnull align 1 dereferenceable(1) %19, ptr noundef nonnull align 1 dereferenceable(1) %20)
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %20) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %19) #8
  call void @llvm.lifetime.start.p0(i64 384, ptr nonnull %21) #8
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %21, ptr noundef nonnull align 8 dereferenceable(32) %9, i32 noundef 8)
          to label %151 unwind label %164

151:                                              ; preds = %148
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %22) #8
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %23) #8
  %152 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %21, ptr noundef nonnull align 8 dereferenceable(8) %22)
          to label %153 unwind label %166

153:                                              ; preds = %151
  %154 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %152, ptr noundef nonnull align 8 dereferenceable(8) %23)
          to label %155 unwind label %166

155:                                              ; preds = %153
  %156 = load double, ptr %22, align 8, !tbaa !14
  %157 = load double, ptr %23, align 8, !tbaa !14
  invoke void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56) %18, double noundef %156, double noundef %157)
          to label %158 unwind label %166

158:                                              ; preds = %155
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %23) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %22) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %21) #8
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %21) #8
  %159 = add nuw i64 %.04593, 1
  %160 = load i64, ptr %17, align 8, !tbaa !12
  %161 = icmp ult i64 %159, %160
  br i1 %161, label %.lr.ph94, label %._crit_edge95, !llvm.loop !16

162:                                              ; preds = %.lr.ph94
  %163 = landingpad { ptr, i32 }
          cleanup
  br label %172

164:                                              ; preds = %148
  %165 = landingpad { ptr, i32 }
          cleanup
  br label %168

166:                                              ; preds = %155, %153, %151
  %167 = landingpad { ptr, i32 }
          cleanup
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %23) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %22) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %21) #8
  br label %168

168:                                              ; preds = %166, %164
  %.pn64 = phi { ptr, i32 } [ %167, %166 ], [ %165, %164 ]
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %21) #8
  br label %172

169:                                              ; preds = %._crit_edge95
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %18) #8
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %18) #8
  br label %249

170:                                              ; preds = %._crit_edge95
  %171 = landingpad { ptr, i32 }
          cleanup
  br label %172

172:                                              ; preds = %162, %168, %170
  %.pn64.pn.pn = phi { ptr, i32 } [ %171, %170 ], [ %.pn64, %168 ], [ %163, %162 ]
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %18) #8
  br label %173

173:                                              ; preds = %172, %145
  %.pn64.pn.pn.pn = phi { ptr, i32 } [ %.pn64.pn.pn, %172 ], [ %146, %145 ]
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %18) #8
  br label %250

174:                                              ; preds = %136
  %175 = call noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE6lengthEv(ptr noundef nonnull align 8 dereferenceable(32) %16) #8
  %176 = icmp eq i64 %175, 2
  br i1 %176, label %177, label %231

177:                                              ; preds = %174
  call void @llvm.lifetime.start.p0(i64 56, ptr nonnull %24) #8
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %25) #8
  %178 = call noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32) %16, i64 noundef 0)
  %179 = load i8, ptr %178, align 1, !tbaa !8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %26) #8
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %26) #8
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEmcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %25, i64 noundef 1, i8 noundef signext %179, ptr noundef nonnull align 1 dereferenceable(1) %26)
          to label %180 unwind label %187

180:                                              ; preds = %177
  invoke void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %24, ptr noundef nonnull align 8 dereferenceable(32) %25)
          to label %181 unwind label %189

181:                                              ; preds = %180
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %25) #8
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %26) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %26) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %25) #8
  call void @llvm.lifetime.start.p0(i64 56, ptr nonnull %27) #8
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %28) #8
  %182 = call noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32) %16, i64 noundef 1)
  %183 = load i8, ptr %182, align 1, !tbaa !8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %29) #8
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %29) #8
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEmcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %28, i64 noundef 1, i8 noundef signext %183, ptr noundef nonnull align 1 dereferenceable(1) %29)
          to label %184 unwind label %192

184:                                              ; preds = %181
  invoke void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56) %27, ptr noundef nonnull align 8 dereferenceable(32) %28)
          to label %185 unwind label %194

185:                                              ; preds = %184
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %28) #8
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %29) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %29) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %28) #8
  %186 = load i64, ptr %17, align 8, !tbaa !12
  %.not99 = icmp eq i64 %186, 0
  br i1 %.not99, label %._crit_edge, label %.lr.ph

._crit_edge:                                      ; preds = %213, %185
  invoke void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56) %10, ptr noundef nonnull align 8 dereferenceable(56) %24)
          to label %224 unwind label %226

187:                                              ; preds = %177
  %188 = landingpad { ptr, i32 }
          cleanup
  br label %191

189:                                              ; preds = %180
  %190 = landingpad { ptr, i32 }
          cleanup
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %25) #8
  br label %191

191:                                              ; preds = %189, %187
  %.pn54 = phi { ptr, i32 } [ %190, %189 ], [ %188, %187 ]
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %26) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %26) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %25) #8
  br label %230

192:                                              ; preds = %181
  %193 = landingpad { ptr, i32 }
          cleanup
  br label %196

194:                                              ; preds = %184
  %195 = landingpad { ptr, i32 }
          cleanup
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %28) #8
  br label %196

196:                                              ; preds = %194, %192
  %.pn56 = phi { ptr, i32 } [ %195, %194 ], [ %193, %192 ]
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %29) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %29) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %28) #8
  br label %229

.lr.ph:                                           ; preds = %185, %213
  %.04092 = phi i64 [ %214, %213 ], [ 0, %185 ]
  %197 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16) %3, ptr noundef nonnull align 8 dereferenceable(32) %9)
          to label %198 unwind label %217

198:                                              ; preds = %.lr.ph
  %199 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5beginEv(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  %200 = call ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE3endEv(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %30) #8
  store i8 68, ptr %30, align 1, !tbaa !8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %31) #8
  store i8 69, ptr %31, align 1, !tbaa !8
  call void @_ZSt7replaceIN9__gnu_cxx17__normal_iteratorIPcNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEEEcEvT_SA_RKT0_SD_(ptr %199, ptr %200, ptr noundef nonnull align 1 dereferenceable(1) %30, ptr noundef nonnull align 1 dereferenceable(1) %31)
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %31) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %30) #8
  call void @llvm.lifetime.start.p0(i64 384, ptr nonnull %32) #8
  invoke void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120) %32, ptr noundef nonnull align 8 dereferenceable(32) %9, i32 noundef 8)
          to label %201 unwind label %219

201:                                              ; preds = %198
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %33) #8
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %34) #8
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %35) #8
  %202 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %32, ptr noundef nonnull align 8 dereferenceable(8) %33)
          to label %203 unwind label %221

203:                                              ; preds = %201
  %204 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %202, ptr noundef nonnull align 8 dereferenceable(8) %34)
          to label %205 unwind label %221

205:                                              ; preds = %203
  %206 = invoke noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16) %204, ptr noundef nonnull align 8 dereferenceable(8) %35)
          to label %207 unwind label %221

207:                                              ; preds = %205
  %208 = load double, ptr %33, align 8, !tbaa !14
  %209 = load double, ptr %34, align 8, !tbaa !14
  invoke void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56) %24, double noundef %208, double noundef %209)
          to label %210 unwind label %221

210:                                              ; preds = %207
  %211 = load double, ptr %33, align 8, !tbaa !14
  %212 = load double, ptr %35, align 8, !tbaa !14
  invoke void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56) %27, double noundef %211, double noundef %212)
          to label %213 unwind label %221

213:                                              ; preds = %210
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %35) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %34) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %33) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %32) #8
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %32) #8
  %214 = add nuw i64 %.04092, 1
  %215 = load i64, ptr %17, align 8, !tbaa !12
  %216 = icmp ult i64 %214, %215
  br i1 %216, label %.lr.ph, label %._crit_edge, !llvm.loop !17

217:                                              ; preds = %.lr.ph
  %218 = landingpad { ptr, i32 }
          cleanup
  br label %228

219:                                              ; preds = %198
  %220 = landingpad { ptr, i32 }
          cleanup
  br label %223

221:                                              ; preds = %210, %207, %205, %203, %201
  %222 = landingpad { ptr, i32 }
          cleanup
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %35) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %34) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %33) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %32) #8
  br label %223

223:                                              ; preds = %221, %219
  %.pn58 = phi { ptr, i32 } [ %222, %221 ], [ %220, %219 ]
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %32) #8
  br label %228

224:                                              ; preds = %._crit_edge
  invoke void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56) %10, ptr noundef nonnull align 8 dereferenceable(56) %27)
          to label %225 unwind label %226

225:                                              ; preds = %224
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %27) #8
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %27) #8
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %24) #8
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %24) #8
  br label %249

226:                                              ; preds = %224, %._crit_edge
  %227 = landingpad { ptr, i32 }
          cleanup
  br label %228

228:                                              ; preds = %217, %223, %226
  %.pn58.pn.pn = phi { ptr, i32 } [ %227, %226 ], [ %.pn58, %223 ], [ %218, %217 ]
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %27) #8
  br label %229

229:                                              ; preds = %228, %196
  %.pn58.pn.pn.pn = phi { ptr, i32 } [ %.pn58.pn.pn, %228 ], [ %.pn56, %196 ]
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %27) #8
  call void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %24) #8
  br label %230

230:                                              ; preds = %229, %191
  %.pn58.pn.pn.pn.pn = phi { ptr, i32 } [ %.pn58.pn.pn.pn, %229 ], [ %.pn54, %191 ]
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %24) #8
  br label %250

231:                                              ; preds = %174
  %232 = call ptr @__cxa_allocate_exception(i64 144) #8
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %36) #8
  invoke void @_ZStplIcSt11char_traitsIcESaIcEENSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_RKS8_(ptr dead_on_unwind nonnull writable sret(%"class.std::__cxx11::basic_string") align 8 %36, ptr noundef nonnull @.str.135, ptr noundef nonnull align 8 dereferenceable(32) %16)
          to label %233 unwind label %.thread82

233:                                              ; preds = %231
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %37) #8
  %234 = call noundef ptr @strrchr(ptr noundef nonnull dereferenceable(1) @.str.133, i32 noundef 47) #9
  %.not49 = icmp eq ptr %234, null
  %235 = getelementptr inbounds i8, ptr %234, i64 1
  %spec.select78 = select i1 %.not49, ptr @.str.133, ptr %235
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %38) #8
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %38) #8
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %37, ptr noundef nonnull %spec.select78, ptr noundef nonnull align 1 dereferenceable(1) %38)
          to label %236 unwind label %240

236:                                              ; preds = %233
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %39) #8
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %40) #8
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %40) #8
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %39, ptr noundef nonnull @__func__._ZN5gansu8BasisSet18construct_from_gbsERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE, ptr noundef nonnull align 1 dereferenceable(1) %40)
          to label %237 unwind label %242

237:                                              ; preds = %236
  invoke void @_ZN5gansu9ExceptionC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES8_iS8_(ptr noundef nonnull align 8 dereferenceable(144) %232, ptr noundef nonnull align 8 dereferenceable(32) %36, ptr noundef nonnull align 8 dereferenceable(32) %37, i32 noundef 113, ptr noundef nonnull align 8 dereferenceable(32) %39)
          to label %238 unwind label %244

238:                                              ; preds = %237
  invoke void @__cxa_throw(ptr nonnull %232, ptr nonnull @_ZTIN5gansu9ExceptionE, ptr nonnull @_ZN5gansu9ExceptionD2Ev) #10
          to label %263 unwind label %244

.thread82:                                        ; preds = %231
  %239 = landingpad { ptr, i32 }
          cleanup
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %36) #8
  br label %248

240:                                              ; preds = %233
  %241 = landingpad { ptr, i32 }
          cleanup
  br label %247

242:                                              ; preds = %236
  %243 = landingpad { ptr, i32 }
          cleanup
  br label %246

244:                                              ; preds = %238, %237
  %.0 = phi i1 [ false, %238 ], [ true, %237 ]
  %245 = landingpad { ptr, i32 }
          cleanup
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %39) #8
  br label %246

246:                                              ; preds = %244, %242
  %.pn50 = phi { ptr, i32 } [ %245, %244 ], [ %243, %242 ]
  %.1 = phi i1 [ %.0, %244 ], [ true, %242 ]
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %40) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %40) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %39) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %37) #8
  br label %247

247:                                              ; preds = %240, %246
  %.pn50.pn = phi { ptr, i32 } [ %.pn50, %246 ], [ %241, %240 ]
  %.2 = phi i1 [ %.1, %246 ], [ true, %240 ]
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %38) #8
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %38) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %37) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %36) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %36) #8
  br i1 %.2, label %248, label %250

248:                                              ; preds = %.thread82, %247
  %.pn50.pn.pn85 = phi { ptr, i32 } [ %239, %.thread82 ], [ %.pn50.pn, %247 ]
  call void @__cxa_free_exception(ptr %232) #8
  br label %250

249:                                              ; preds = %225, %169
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %17) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %16) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %16) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %15) #8
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %15) #8
  br label %115, !llvm.loop !18

250:                                              ; preds = %247, %248, %230, %173, %143
  %.pn64.pn.pn.pn.pn = phi { ptr, i32 } [ %.pn64.pn.pn.pn, %173 ], [ %.pn58.pn.pn.pn.pn, %230 ], [ %.pn50.pn.pn85, %248 ], [ %.pn50.pn, %247 ], [ %144, %143 ]
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %17) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %16) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %16) #8
  call void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120) %15) #8
  br label %251

251:                                              ; preds = %250, %141
  %.pn64.pn.pn.pn.pn.pn = phi { ptr, i32 } [ %.pn64.pn.pn.pn.pn, %250 ], [ %142, %141 ]
  call void @llvm.lifetime.end.p0(i64 384, ptr nonnull %15) #8
  br label %.loopexit.split-lp

252:                                              ; preds = %124, %123
  %253 = load ptr, ptr %3, align 8, !tbaa !5
  %254 = getelementptr i8, ptr %253, i64 -24
  %255 = load i64, ptr %254, align 8
  %256 = getelementptr inbounds i8, ptr %3, i64 %255
  %257 = call noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEE3eofEv(ptr noundef nonnull align 8 dereferenceable(264) %256)
  br i1 %257, label %._crit_edge98, label %.lr.ph97, !llvm.loop !19

._crit_edge98:                                    ; preds = %252, %.loopexit91
  %258 = call noundef nonnull align 8 dereferenceable(32) ptr @_ZNK5gansu15ElementBasisSet16get_element_nameB5cxx11Ev(ptr noundef nonnull align 8 dereferenceable(56) %10)
  %259 = call noundef zeroext i1 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5emptyEv(ptr noundef nonnull align 8 dereferenceable(32) %258) #8
  br i1 %259, label %261, label %260

260:                                              ; preds = %._crit_edge98
  invoke void @_ZN5gansu8BasisSet21add_element_basis_setERKNS_15ElementBasisSetE(ptr noundef nonnull align 8 dereferenceable(56) %0, ptr noundef nonnull align 8 dereferenceable(56) %10)
          to label %261 unwind label %.loopexit.split-lp.loopexit.split-lp.loopexit.split-lp

261:                                              ; preds = %260, %._crit_edge98
  call void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %10) #8
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %10) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %9) #8
  call void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(256) %3) #8
  call void @llvm.lifetime.end.p0(i64 520, ptr nonnull %3) #8
  ret void

.loopexit.split-lp:                               ; preds = %.loopexit, %.loopexit.split-lp.loopexit.split-lp.loopexit, %.loopexit.split-lp.loopexit.split-lp.loopexit.split-lp, %.loopexit.split-lp.loopexit, %251, %130, %96
  %.pn64.pn.pn.pn.pn.pn.pn = phi { ptr, i32 } [ %.pn64.pn.pn.pn.pn.pn, %251 ], [ %.pn, %130 ], [ %97, %96 ], [ %lpad.loopexit, %.loopexit ], [ %lpad.loopexit86, %.loopexit.split-lp.loopexit ], [ %lpad.loopexit89, %.loopexit.split-lp.loopexit.split-lp.loopexit ], [ %lpad.loopexit.split-lp, %.loopexit.split-lp.loopexit.split-lp.loopexit.split-lp ]
  call void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %10) #8
  call void @llvm.lifetime.end.p0(i64 56, ptr nonnull %10) #8
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %9) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %9) #8
  call void @_ZN5gansu8BasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56) %0) #8
  br label %262

262:                                              ; preds = %65, %66, %.loopexit.split-lp, %55
  %.pn73.pn.pn.pn = phi { ptr, i32 } [ %.pn73.pn.pn81, %66 ], [ %.pn73.pn, %65 ], [ %.pn64.pn.pn.pn.pn.pn.pn, %.loopexit.split-lp ], [ %56, %55 ]
  call void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(256) %3) #8
  call void @llvm.lifetime.end.p0(i64 520, ptr nonnull %3) #8
  resume { ptr, i32 } %.pn73.pn.pn.pn

263:                                              ; preds = %238, %54
  unreachable
}

; Function Attrs: mustprogress uwtable
declare void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEEC1ERKNSt7__cxx1112basic_stringIcS1_SaIcEEESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(256), ptr noundef nonnull align 8 dereferenceable(32), i32 noundef) unnamed_addr #2 align 2

; Function Attrs: mustprogress uwtable
declare noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEntEv(ptr noundef nonnull align 8 dereferenceable(264)) local_unnamed_addr #2 align 2

declare ptr @__cxa_allocate_exception(i64) local_unnamed_addr

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZStplIcSt11char_traitsIcESaIcEENSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_RKS8_(ptr dead_on_unwind noalias writable sret(%"class.std::__cxx11::basic_string") align 8, ptr noundef, ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #2

; Function Attrs: mustprogress nofree nounwind willreturn memory(argmem: read)
declare noundef ptr @strrchr(ptr noundef, i32 noundef) local_unnamed_addr #3

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu9ExceptionC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES8_iS8_(ptr noundef nonnull align 8 dereferenceable(144), ptr noundef nonnull align 8 dereferenceable(32), ptr noundef nonnull align 8 dereferenceable(32), i32 noundef, ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu9ExceptionD2Ev(ptr noundef nonnull align 8 dereferenceable(144)) unnamed_addr #4 align 2

declare void @__cxa_throw(ptr, ptr, ptr) local_unnamed_addr

declare void @__cxa_free_exception(ptr) local_unnamed_addr

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu8BasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2Ev(ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu15ElementBasisSetC2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #1 align 2

; Function Attrs: inlinehint mustprogress uwtable
declare noundef nonnull align 8 dereferenceable(16) ptr @_ZSt7getlineIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #5

; Function Attrs: mustprogress uwtable
declare noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEEcvbEv(ptr noundef nonnull align 8 dereferenceable(264)) local_unnamed_addr #2 align 2

; Function Attrs: mustprogress nofree nounwind willreturn memory(read)
declare i32 @isalpha(i32 noundef) local_unnamed_addr #6

; Function Attrs: mustprogress nounwind uwtable
declare noundef nonnull align 1 dereferenceable(1) ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEixEm(ptr noundef nonnull align 8 dereferenceable(32), i64 noundef) local_unnamed_addr #1 align 2

declare noundef nonnull align 8 dereferenceable(16) ptr @_ZNSi5seekgESt4fposI11__mbstate_tE(ptr noundef nonnull align 8 dereferenceable(16), i64, i64) local_unnamed_addr #7

declare { i64, i64 } @_ZNSi5tellgEv(ptr noundef nonnull align 8 dereferenceable(16)) local_unnamed_addr #7

; Function Attrs: mustprogress uwtable
declare dso_local { i64, i64 } @_ZNKSt4fposI11__mbstate_tEmiEl(ptr noundef nonnull align 8 dereferenceable(16), i64 noundef) local_unnamed_addr #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef zeroext i1 @_ZNKSt9basic_iosIcSt11char_traitsIcEE3eofEv(ptr noundef nonnull align 8 dereferenceable(264)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local noundef nonnull align 8 dereferenceable(32) ptr @_ZNK5gansu15ElementBasisSet16get_element_nameB5cxx11Ev(ptr noundef nonnull align 8 dereferenceable(56)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef zeroext i1 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5emptyEv(ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu8BasisSet21add_element_basis_setERKNS_15ElementBasisSetE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(56)) local_unnamed_addr #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local noundef nonnull align 8 dereferenceable(56) ptr @_ZN5gansu15ElementBasisSetaSEOS0_(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(56)) local_unnamed_addr #4 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu15ElementBasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress uwtable
declare void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEEC1ERKNS_12basic_stringIcS2_S3_EESt13_Ios_Openmode(ptr noundef nonnull align 8 dereferenceable(120), ptr noundef nonnull align 8 dereferenceable(32), i32 noundef) unnamed_addr #2 align 2

declare noundef nonnull align 8 dereferenceable(16) ptr @_ZStrsIcSt11char_traitsIcESaIcEERSt13basic_istreamIT_T0_ES7_RNSt7__cxx1112basic_stringIS4_S5_T1_EE(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #7

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ElementBasisSet16set_element_nameERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1119basic_istringstreamIcSt11char_traitsIcESaIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(120)) unnamed_addr #1 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local noundef zeroext i1 @_ZSteqIcSt11char_traitsIcESaIcEEbRKNSt7__cxx1112basic_stringIT_T0_T1_EEPKS5_(ptr noundef nonnull align 8 dereferenceable(32), ptr noundef) local_unnamed_addr #4

; Function Attrs: mustprogress uwtable
declare noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERm(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(8)) local_unnamed_addr #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare noundef i64 @_ZNKSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE6lengthEv(ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ContractedGaussC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #2 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZSt7replaceIN9__gnu_cxx17__normal_iteratorIPcNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEEEcEvT_SA_RKT0_SD_(ptr, ptr, ptr noundef nonnull align 1 dereferenceable(1), ptr noundef nonnull align 1 dereferenceable(1)) local_unnamed_addr #1

; Function Attrs: mustprogress nounwind uwtable
declare ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE5beginEv(ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress nounwind uwtable
declare ptr @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEE3endEv(ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
declare noundef nonnull align 8 dereferenceable(16) ptr @_ZNSirsERd(ptr noundef nonnull align 8 dereferenceable(16), ptr noundef nonnull align 8 dereferenceable(8)) local_unnamed_addr #2 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ContractedGauss19add_primitive_gaussEdd(ptr noundef nonnull align 8 dereferenceable(56), double noundef, double noundef) local_unnamed_addr #2 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZN5gansu15ElementBasisSet20add_contracted_gaussERKNS_15ContractedGaussE(ptr noundef nonnull align 8 dereferenceable(56), ptr noundef nonnull align 8 dereferenceable(56)) local_unnamed_addr #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu15ContractedGaussD2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEmcRKS3_(ptr noundef nonnull align 8 dereferenceable(32), i64 noundef, i8 noundef signext, ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #2 align 2

; Function Attrs: inlinehint mustprogress nounwind uwtable
declare dso_local void @_ZN5gansu8BasisSetD2Ev(ptr noundef nonnull align 8 dereferenceable(56)) unnamed_addr #4 align 2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt14basic_ifstreamIcSt11char_traitsIcEED1Ev(ptr noundef nonnull align 8 dereferenceable(256)) unnamed_addr #1 align 2

attributes #0 = { mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { mustprogress nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #2 = { mustprogress uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #3 = { mustprogress nofree nounwind willreturn memory(argmem: read) "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #4 = { inlinehint mustprogress nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #5 = { inlinehint mustprogress uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #6 = { mustprogress nofree nounwind willreturn memory(read) "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #7 = { "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #8 = { nounwind }
attributes #9 = { nounwind willreturn memory(read) }
attributes #10 = { noreturn }

!llvm.module.flags = !{!0, !1, !2, !3}
!llvm.ident = !{!4}

!0 = !{i32 1, !"wchar_size", i32 4}
!1 = !{i32 8, !"PIC Level", i32 2}
!2 = !{i32 7, !"PIE Level", i32 2}
!3 = !{i32 7, !"uwtable", i32 2}
!4 = !{!"clang version 19.1.0 (git@github.com:llvm/llvm-project.git a4bf6cd7cfb1a1421ba92bca9d017b49936c55e4)"}
!5 = !{!6, !6, i64 0}
!6 = !{!"vtable pointer", !7, i64 0}
!7 = !{!"Simple C++ TBAA"}
!8 = !{!9, !9, i64 0}
!9 = !{!"omnipotent char", !7, i64 0}
!10 = distinct !{!10, !11}
!11 = !{!"llvm.loop.mustprogress"}
!12 = !{!13, !13, i64 0}
!13 = !{!"long", !9, i64 0}
!14 = !{!15, !15, i64 0}
!15 = !{!"double", !9, i64 0}
!16 = distinct !{!16, !11}
!17 = distinct !{!17, !11}
!18 = distinct !{!18, !11}
!19 = distinct !{!19, !11}


; Effective O3 passes: CorrelatedValuePropagationPass,EarlyCSEPass,GlobalOptPass,IPSCCPPass,InferFunctionAttrsPass,InstCombinePass,JumpThreadingPass,LoopRotatePass,LoopSimplifyPass,LoopUnrollPass,SROAPass,SimplifyCFGPass