; LLVM IR from sbischoff-ai/simple-molecular-dynamics :: SimpleMolecularDynamics/SimpleMolecularDynamics (AndersonThermostat)

; 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.AndersonThermostat = type { double, double, double, ptr }

; Function Attrs: mustprogress uwtable
define dso_local void @_ZN18AndersonThermostatC2EP5MDSimdd(ptr noundef nonnull align 8 dereferenceable(32) %0, ptr noundef %1, double noundef %2, double noundef %3) unnamed_addr #0 align 2 {
  %5 = alloca ptr, align 8
  %6 = alloca ptr, align 8
  %7 = alloca double, align 8
  %8 = alloca double, align 8
  store ptr %0, ptr %5, align 8, !tbaa !5
  store ptr %1, ptr %6, align 8, !tbaa !5
  store double %2, ptr %7, align 8, !tbaa !9
  store double %3, ptr %8, align 8, !tbaa !9
  %9 = load ptr, ptr %5, align 8
  %10 = getelementptr inbounds %class.AndersonThermostat, ptr %9, i32 0, i32 0
  %11 = load double, ptr %7, align 8, !tbaa !9
  store double %11, ptr %10, align 8, !tbaa !11
  %12 = getelementptr inbounds %class.AndersonThermostat, ptr %9, i32 0, i32 1
  %13 = load double, ptr %8, align 8, !tbaa !9
  %14 = fmul double -1.000000e+00, %13
  store double %14, ptr %12, align 8, !tbaa !13
  %15 = getelementptr inbounds %class.AndersonThermostat, ptr %9, i32 0, i32 2
  %16 = load double, ptr %8, align 8, !tbaa !9
  %17 = fmul double -1.000000e+00, %16
  %18 = load ptr, ptr %6, align 8, !tbaa !5
  %19 = call noundef double @_ZN5MDSim5getDtEv(ptr noundef nonnull align 8 dereferenceable(185) %18)
  %20 = fmul double %17, %19
  %21 = call double @exp(double noundef %20) #3
  %22 = fsub double 1.000000e+00, %21
  store double %22, ptr %15, align 8, !tbaa !14
  %23 = getelementptr inbounds %class.AndersonThermostat, ptr %9, i32 0, i32 3
  %24 = load ptr, ptr %6, align 8, !tbaa !5
  store ptr %24, ptr %23, align 8, !tbaa !15
  ret void
}

; Function Attrs: nounwind
declare double @exp(double noundef) #1

declare noundef double @_ZN5MDSim5getDtEv(ptr noundef nonnull align 8 dereferenceable(185)) #2

attributes #0 = { 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 #1 = { nounwind "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 = { "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 }

!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 = !{!"double", !7, i64 0}
!11 = !{!12, !10, i64 0}
!12 = !{!"_ZTS18AndersonThermostat", !10, i64 0, !10, i64 8, !10, i64 16, !6, i64 24}
!13 = !{!12, !10, i64 8}
!14 = !{!12, !10, i64 16}
!15 = !{!12, !6, i64 24}


; 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"

; Function Attrs: mustprogress uwtable
define dso_local void @_ZN18AndersonThermostatC2EP5MDSimdd(ptr nocapture noundef nonnull writeonly align 8 dereferenceable(32) %0, ptr noundef nonnull %1, double noundef %2, double noundef %3) unnamed_addr #0 align 2 {
  store double %2, ptr %0, align 8, !tbaa !5
  %5 = getelementptr inbounds i8, ptr %0, i64 8
  %6 = fneg double %3
  store double %6, ptr %5, align 8, !tbaa !11
  %7 = getelementptr inbounds i8, ptr %0, i64 16
  %8 = tail call noundef double @_ZN5MDSim5getDtEv(ptr noundef nonnull align 8 dereferenceable(185) %1)
  %9 = fmul double %8, %6
  %10 = tail call double @exp(double noundef %9) #3
  %11 = fsub double 1.000000e+00, %10
  store double %11, ptr %7, align 8, !tbaa !12
  %12 = getelementptr inbounds i8, ptr %0, i64 24
  store ptr %1, ptr %12, align 8, !tbaa !13
  ret void
}

; Function Attrs: mustprogress nofree nounwind willreturn memory(write)
declare double @exp(double noundef) local_unnamed_addr #1

declare noundef double @_ZN5MDSim5getDtEv(ptr noundef nonnull align 8 dereferenceable(185)) local_unnamed_addr #2

attributes #0 = { 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 #1 = { mustprogress nofree nounwind willreturn memory(write) "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 = { "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 }

!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, !7, i64 0}
!6 = !{!"_ZTS18AndersonThermostat", !7, i64 0, !7, i64 8, !7, i64 16, !10, i64 24}
!7 = !{!"double", !8, i64 0}
!8 = !{!"omnipotent char", !9, i64 0}
!9 = !{!"Simple C++ TBAA"}
!10 = !{!"any pointer", !8, i64 0}
!11 = !{!6, !7, i64 8}
!12 = !{!6, !7, i64 16}
!13 = !{!6, !10, i64 24}


; Effective O3 passes: EarlyCSEPass,GlobalOptPass,InferFunctionAttrsPass,InstCombinePass,PostOrderFunctionAttrsPass,ReassociatePass,SROAPass,TailCallElimPass