Module ImportFrom alias alias Expr Str Assign NameStore Str Assign NameStore Str Assign NameStore Str Assign NameStore Str Assign NameStore Str Assign NameStore Str Import alias Import alias Import alias Import alias Import alias ImportFrom alias alias alias alias alias alias alias alias alias ImportFrom alias alias alias alias alias Assign NameStore Call AttributeLoad AttributeLoad NameLoad attr attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Str Str Str Assign NameStore Call AttributeLoad NameLoad attr FunctionDef arguments args defaults body For NameStore Call AttributeLoad NameLoad attr Str body Expr Call AttributeLoad NameLoad attr NameLoad For NameStore Call AttributeLoad NameLoad attr Str body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body If CompareNotIn Str AttributeLoad NameLoad attr body Assign SubscriptStore AttributeLoad NameLoad attr Index Str NameLoad Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad Call AttributeLoad NameLoad attr Str Index Str Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str Num Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr Call NameLoad ListComp SubscriptLoad NameLoad Index Str comprehension NameStore SubscriptLoad NameLoad Index Str Set Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str NameLoad Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str ListLoad ListLoad Num Num Num Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str Num Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr NameLoad Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr SubscriptLoad SubscriptLoad NameLoad Index Str Index Str Num Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr CompareIn Str SubscriptLoad NameLoad Index Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr Str If BoolOpAnd CompareEq AttributeLoad SubscriptLoad NameLoad Index Str attr AttributeLoad AttributeLoad NameLoad attr attr CompareLt AttributeLoad SubscriptLoad NameLoad Index Str attr Num body Assign NameStore Call NameLoad ListComp Call NameLoad CompareEq BinOpMod NameLoad Num Num comprehension NameStore SubscriptLoad AttributeLoad SubscriptLoad NameLoad Index Str attr Index Num Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr SubscriptLoad SubscriptLoad NameLoad Index Str Index Str Num Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr NameLoad Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str Num Str Expr Call NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr NameLoad decorator_list FunctionDef arguments args NameParam defaults body If CompareNotIn Str AttributeLoad NameLoad attr body Assign SubscriptStore AttributeLoad NameLoad attr Index Str NameLoad Assign NameStore Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Assign NameStore Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr Call NameLoad NameLoad Call NameLoad NameLoad Expr Call AttributeLoad NameLoad attr AttributeLoad NameLoad attr Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr SubscriptLoad Call AttributeLoad NameLoad attr Index Str ListLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr SubscriptLoad Call AttributeLoad NameLoad attr Index Str ListLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str Str Expr Call AttributeLoad NameLoad attr SubscriptLoad Call AttributeLoad NameLoad attr Index Str ListLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str Num decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr SubscriptLoad Call AttributeLoad NameLoad attr Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr Str decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call NameLoad Expr Call AttributeLoad NameLoad attr NameLoad decorator_list decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body If CompareNotIn Str AttributeLoad NameLoad attr body Assign SubscriptStore AttributeLoad NameLoad attr Index Str NameLoad Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr Str Str Expr Call NameLoad Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str Num Str Dict Str Str Str Dict Str Dict Str Str Dict Str Str Str Dict Str Dict Str Str decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str Str Num Num Str Dict Str Str Str Dict Str Dict Str Str Dict Str Str Str Dict Str Dict Str Str Assign NameStore Call AttributeLoad NameLoad attr Str Assign SubscriptStore NameLoad Index Str Num Expr Call AttributeLoad NameLoad attr Str Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Dict Str Str Dict Str Dict Str Str Num Num Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call NameLoad Expr Call AttributeLoad NameLoad attr NameLoad decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call NameLoad Expr Call AttributeLoad NameLoad attr NameLoad decorator_list decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body If CompareNotIn Str AttributeLoad NameLoad attr body Assign SubscriptStore AttributeLoad NameLoad attr Index Str NameLoad Expr Call AttributeLoad NameLoad attr NameLoad decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad Str Assign NameStore Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr Call NameLoad NameLoad NameLoad Expr Call AttributeLoad NameLoad attr AttributeLoad NameLoad attr Str decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list NameLoad decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body If CompareNotIn Str AttributeLoad NameLoad attr body Assign SubscriptStore AttributeLoad NameLoad attr Index Str NameLoad Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call AttributeLoad NameLoad attr Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr NameLoad Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr AttributeLoad NameLoad attr BinOpMult AttributeLoad NameLoad attr BinOpPow Num Num Num decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call AttributeLoad NameLoad attr Str Assign NameStore Call NameLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr NameLoad Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr AttributeLoad NameLoad attr AttributeLoad NameLoad attr Num Expr Call AttributeLoad NameLoad attr SubscriptLoad Call AttributeLoad NameLoad attr Str Index Str Num decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Expr Call NameLoad Expr Call AttributeLoad NameLoad attr NameLoad decorator_list decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body If CompareNotIn Str AttributeLoad NameLoad attr body Assign SubscriptStore AttributeLoad NameLoad attr Index Str NameLoad Expr Call AttributeLoad NameLoad attr NameLoad decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Assign NameStore Call AttributeLoad NameLoad attr Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr AttributeLoad NameLoad attr AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str Num decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call NameLoad keyword Num keyword Num Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Assign AttributeStore NameLoad attr BinOpSub Call AttributeLoad AttributeLoad NameLoad attr attr Call AttributeLoad NameLoad attr keyword Num Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Assign NameStore Call NameLoad keyword Num keyword Num Assign AttributeStore NameLoad attr BinOpSub Call AttributeLoad AttributeLoad NameLoad attr attr Call AttributeLoad NameLoad attr keyword Num Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr With Call NameLoad Str NameStore body Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr NameLoad Str Expr Call AttributeLoad NameLoad attr Str Assign NameStore Call NameLoad keyword Num keyword Num keyword NameLoad Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Assign AttributeStore NameLoad attr BinOpSub Call AttributeLoad AttributeLoad NameLoad attr attr Call AttributeLoad NameLoad attr keyword Num Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr With Call NameLoad Str NameStore body Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr NameLoad Str Expr Call AttributeLoad NameLoad attr Str decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list NameLoad decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call NameLoad Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str Str decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list NameLoad decorator_list ClassDef bases AttributeLoad NameLoad attr body FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list FunctionDef arguments args NameParam defaults body Assign NameStore Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Expr Call AttributeLoad NameLoad attr NameLoad Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Assign NameStore Call AttributeLoad NameLoad attr Str Assign NameStore SubscriptLoad NameLoad Index Str Assign NameStore Call NameLoad Expr Call AttributeLoad NameLoad attr Call AttributeLoad NameLoad attr Assign NameStore Call AttributeLoad NameLoad attr Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str ListLoad Str Expr Call AttributeLoad NameLoad attr Call AttributeLoad AttributeLoad NameLoad attr attr NameLoad Str Assign NameStore Call AttributeLoad NameLoad attr Str Assign NameStore SubscriptLoad NameLoad Index Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr Str Str Expr Call AttributeLoad NameLoad attr NameLoad NameLoad Expr Call AttributeLoad NameLoad attr SubscriptLoad NameLoad Index Str Num decorator_list FunctionDef arguments args NameParam defaults body Expr Call AttributeLoad NameLoad attr NameLoad decorator_list NameLoad decorator_list If CompareEq NameLoad Str body Expr Call AttributeLoad NameLoad attr
N/A __future__ unicode_literals division N/A 
Created on Jun 1, 2012
 N/A __author__ Shyue Ping Ong, Stephen Dacek N/A __copyright__ Copyright 2012, The Materials Project N/A __version__ 0.1 N/A __maintainer__ Shyue Ping Ong N/A __email__ shyue@mit.edu N/A __date__ Jun 1, 2012 N/A unittest N/A os N/A glob N/A shutil N/A datetime custodian.vasp.handlers VaspErrorHandler UnconvergedErrorHandler MeshSymmetryErrorHandler WalltimeHandler MaxForceErrorHandler PositiveEnergyErrorHandler PotimErrorHandler FrozenJobErrorHandler AliasingErrorHandler pymatgen.io.vasp Incar Poscar Structure Kpoints VaspInput N/A test_dir N/A N/A N/A os path join N/A N/A N/A os path dirname __file__ .. .. .. test_files N/A cwd N/A N/A os getcwd clean_dir N/A N/A N/A N/A N/A f N/A N/A glob glob error.*.tar.gz N/A N/A N/A N/A os remove f N/A f N/A N/A glob glob custodian.chk.*.tar.gz N/A N/A N/A N/A os remove f N/A VaspErrorHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A self N/A N/A N/A N/A VASP_PSP_DIR N/A os environ N/A N/A N/A N/A os environ N/A VASP_PSP_DIR test_dir N/A N/A N/A os chdir test_dir N/A N/A N/A shutil copy INCAR INCAR.orig N/A N/A N/A shutil copy KPOINTS KPOINTS.orig N/A N/A N/A shutil copy POSCAR POSCAR.orig N/A N/A N/A shutil copy CHGCAR CHGCAR.orig N/A test_frozen_job N/A N/A self N/A N/A N/A h N/A FrozenJobErrorHandler N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A Frozen job N/A N/A N/A self assertEqual N/A N/A N/A Incar from_file INCAR N/A ALGO Normal N/A test_check_correct N/A N/A self N/A N/A N/A h N/A VaspErrorHandler vasp.teterror N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A tet N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _set N/A ISMEAR 0 INCAR N/A h N/A VaspErrorHandler vasp.sgrcon N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A rot_matrix N/A N/A N/A self assertEqual N/A set N/A N/A a N/A dict N/A a N/A d N/A actions N/A KPOINTS N/A h N/A VaspErrorHandler vasp.real_optlay N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A real_optlay N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _set N/A LREAL False INCAR N/A test_mesh_symmetry N/A N/A self N/A N/A N/A h N/A MeshSymmetryErrorHandler vasp.ibzkpt N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A mesh_symmetry N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _set N/A kpoints N/A N/A 4 4 4 KPOINTS N/A test_dentet N/A N/A self N/A N/A N/A h N/A VaspErrorHandler vasp.dentet N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A dentet N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _set N/A ISMEAR 0 INCAR N/A test_brmix N/A N/A self N/A N/A N/A h N/A VaspErrorHandler vasp.brmix N/A N/A N/A self assertEqual N/A N/A h check True N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A brmix N/A vi N/A N/A VaspInput from_directory . N/A N/A N/A self assertEqual N/A N/A vi N/A INCAR N/A IMIX 1 N/A N/A N/A self assertTrue N/A N/A N/A os path exists CHGCAR N/A N/A N/A h correct N/A vi N/A N/A VaspInput from_directory . N/A N/A N/A self assertFalse N/A IMIX N/A vi N/A INCAR N/A N/A N/A self assertTrue N/A N/A N/A os path exists CHGCAR N/A N/A N/A N/A N/A vi N/A KPOINTS style N/A N/A Kpoints supported_modes Gamma N/A N/A N/A vi N/A KPOINTS num_kpts 1 N/A N/A all_kpts_even N/A all N/A N/A bool N/A N/A n 2 0 N/A n N/A N/A N/A vi N/A KPOINTS kpts N/A 0 N/A N/A N/A self assertFalse all_kpts_even N/A N/A N/A h correct N/A vi N/A N/A VaspInput from_directory . N/A N/A N/A self assertEqual N/A N/A vi N/A INCAR N/A ISYM 0 N/A N/A N/A self assertFalse N/A N/A N/A os path exists CHGCAR N/A N/A N/A shutil copy INCAR.nelect INCAR N/A h N/A VaspErrorHandler vasp.brmix N/A N/A N/A self assertEqual N/A N/A h check False N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A N/A test_too_few_bands N/A N/A self N/A N/A N/A N/A N/A os chdir N/A N/A N/A os path join test_dir too_few_bands N/A N/A N/A shutil copy INCAR INCAR.orig N/A h N/A VaspErrorHandler vasp.too_few_bands N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A too_few_bands N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _set N/A NBANDS 501 INCAR N/A N/A clean_dir N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A os chdir test_dir N/A test_rot_matrix N/A N/A self N/A N/A N/A N/A VASP_PSP_DIR N/A os environ N/A N/A N/A N/A os environ N/A VASP_PSP_DIR test_dir N/A subdir N/A N/A N/A os path join test_dir poscar_error N/A N/A N/A os chdir subdir N/A N/A N/A shutil copy KPOINTS KPOINTS.orig N/A h N/A VaspErrorHandler N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A rot_matrix N/A N/A N/A os remove N/A N/A N/A os path join subdir error.1.tar.gz N/A N/A N/A shutil copy KPOINTS.orig KPOINTS N/A N/A N/A os remove KPOINTS.orig N/A test_to_from_dict N/A N/A self N/A N/A N/A h N/A VaspErrorHandler random_name N/A h2 N/A N/A VaspErrorHandler from_dict N/A N/A h as_dict N/A N/A N/A self assertEqual N/A type h2 N/A type h N/A N/A N/A self assertEqual N/A h2 output_filename random_name N/A test_pssyevx N/A N/A self N/A N/A N/A h N/A VaspErrorHandler vasp.pssyevx N/A N/A N/A self assertEqual N/A N/A h check True N/A N/A N/A self assertEqual N/A N/A N/A h correct N/A errors N/A pssyevx N/A i N/A N/A Incar from_file INCAR N/A N/A N/A self assertEqual N/A i N/A ALGO Normal N/A test_eddrmm N/A N/A self N/A N/A N/A h N/A VaspErrorHandler vasp.eddrmm N/A N/A N/A self assertEqual N/A N/A h check True N/A N/A N/A self assertEqual N/A N/A N/A h correct N/A errors N/A eddrmm N/A i N/A N/A Incar from_file INCAR N/A N/A N/A self assertEqual N/A i N/A ALGO Normal N/A N/A N/A self assertEqual N/A N/A N/A h correct N/A errors N/A eddrmm N/A i N/A N/A Incar from_file INCAR N/A N/A N/A self assertEqual N/A i N/A POTIM 0.25 N/A test_edddav N/A N/A self N/A N/A N/A h N/A VaspErrorHandler vasp.edddav N/A N/A N/A self assertEqual N/A N/A h check True N/A N/A N/A self assertEqual N/A N/A N/A h correct N/A errors N/A edddav N/A N/A N/A self assertFalse N/A N/A N/A os path exists CHGCAR N/A tearDown N/A N/A self N/A N/A N/A N/A N/A os chdir test_dir N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A shutil move KPOINTS.orig KPOINTS N/A N/A N/A shutil move POSCAR.orig POSCAR N/A N/A N/A shutil move CHGCAR.orig CHGCAR N/A N/A clean_dir N/A N/A N/A os chdir cwd N/A N/A AliasingErrorHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A self N/A N/A N/A N/A VASP_PSP_DIR N/A os environ N/A N/A N/A N/A os environ N/A VASP_PSP_DIR test_dir N/A N/A N/A os chdir test_dir N/A N/A N/A shutil copy INCAR INCAR.orig N/A N/A N/A shutil copy KPOINTS KPOINTS.orig N/A N/A N/A shutil copy POSCAR POSCAR.orig N/A N/A N/A shutil copy CHGCAR CHGCAR.orig N/A test_aliasing N/A N/A self N/A N/A N/A N/A N/A os chdir N/A N/A N/A os path join test_dir aliasing N/A N/A N/A shutil copy INCAR INCAR.orig N/A h N/A AliasingErrorHandler vasp.aliasing N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A clean_dir N/A N/A N/A os chdir test_dir N/A N/A N/A self assertEqual N/A d N/A errors N/A aliasing N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _set N/A NGX 34 INCAR N/A file action CHGCAR N/A _file_delete N/A mode actual N/A file action WAVECAR N/A _file_delete N/A mode actual N/A test_aliasing_incar N/A N/A self N/A N/A N/A N/A N/A os chdir N/A N/A N/A os path join test_dir aliasing N/A N/A N/A shutil copy INCAR INCAR.orig N/A h N/A AliasingErrorHandler vasp.aliasing_incar N/A N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A aliasing_incar N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _unset N/A NGY NGZ 1 1 INCAR N/A file action CHGCAR N/A _file_delete N/A mode actual N/A file action WAVECAR N/A _file_delete N/A mode actual N/A incar N/A N/A Incar from_file INCAR.orig N/A N/A incar N/A ICHARG 10 N/A N/A N/A incar write_file INCAR N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A aliasing_incar N/A N/A N/A self assertEqual N/A d N/A actions N/A N/A action dict N/A _unset N/A NGY NGZ 1 1 INCAR N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A clean_dir N/A N/A N/A os chdir test_dir N/A tearDown N/A N/A self N/A N/A N/A N/A N/A os chdir test_dir N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A shutil move KPOINTS.orig KPOINTS N/A N/A N/A shutil move POSCAR.orig POSCAR N/A N/A N/A shutil move CHGCAR.orig CHGCAR N/A N/A clean_dir N/A N/A N/A os chdir cwd N/A N/A UnconvergedErrorHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A cls N/A N/A N/A N/A VASP_PSP_DIR N/A os environ N/A N/A N/A N/A os environ N/A VASP_PSP_DIR test_dir N/A N/A N/A os chdir test_dir N/A test_check_correct N/A N/A self N/A N/A N/A subdir N/A N/A N/A os path join test_dir unconverged N/A N/A N/A os chdir subdir N/A N/A N/A shutil copy INCAR INCAR.orig N/A N/A N/A shutil copy KPOINTS KPOINTS.orig N/A N/A N/A shutil copy POSCAR POSCAR.orig N/A N/A N/A shutil copy CONTCAR CONTCAR.orig N/A h N/A UnconvergedErrorHandler N/A N/A N/A self assertTrue N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A Unconverged N/A N/A N/A os remove N/A N/A N/A os path join subdir error.1.tar.gz N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A shutil move KPOINTS.orig KPOINTS N/A N/A N/A shutil move POSCAR.orig POSCAR N/A N/A N/A shutil move CONTCAR.orig CONTCAR N/A test_to_from_dict N/A N/A self N/A N/A N/A h N/A UnconvergedErrorHandler random_name.xml N/A h2 N/A N/A UnconvergedErrorHandler from_dict N/A N/A h as_dict N/A N/A N/A self assertEqual N/A type h2 UnconvergedErrorHandler N/A N/A N/A self assertEqual N/A h2 output_filename random_name.xml N/A tearDownClass N/A N/A cls N/A N/A N/A N/A N/A os chdir cwd N/A classmethod N/A ZpotrfErrorHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A self N/A N/A N/A N/A VASP_PSP_DIR N/A os environ N/A N/A N/A N/A os environ N/A VASP_PSP_DIR test_dir N/A N/A N/A os chdir test_dir N/A N/A N/A os chdir zpotrf N/A N/A N/A shutil copy POSCAR POSCAR.orig N/A N/A N/A shutil copy INCAR INCAR.orig N/A test_first_step N/A N/A self N/A N/A N/A N/A N/A shutil copy OSZICAR.empty OSZICAR N/A s1 N/A N/A Structure from_file POSCAR N/A h N/A VaspErrorHandler vasp.out N/A N/A N/A self assertEqual N/A N/A h check True N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A zpotrf N/A s2 N/A N/A Structure from_file POSCAR N/A N/A N/A self assertAlmostEqual N/A s2 volume N/A N/A s1 volume N/A 1.2 3 3 N/A test_potim_correction N/A N/A self N/A N/A N/A N/A N/A shutil copy OSZICAR.one_step OSZICAR N/A s1 N/A N/A Structure from_file POSCAR N/A h N/A VaspErrorHandler vasp.out N/A N/A N/A self assertEqual N/A N/A h check True N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A zpotrf N/A s2 N/A N/A Structure from_file POSCAR N/A N/A N/A self assertAlmostEqual N/A s2 volume N/A s1 volume 3 N/A N/A N/A self assertAlmostEqual N/A N/A N/A Incar from_file INCAR N/A POTIM 0.25 N/A tearDown N/A N/A self N/A N/A N/A N/A N/A os chdir test_dir N/A N/A N/A os chdir zpotrf N/A N/A N/A shutil move POSCAR.orig POSCAR N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A os remove OSZICAR N/A N/A clean_dir N/A N/A N/A os chdir cwd N/A N/A MaxForceErrorHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A self N/A N/A N/A N/A VASP_PSP_DIR N/A os environ N/A N/A N/A N/A os environ N/A VASP_PSP_DIR test_dir N/A N/A N/A os chdir test_dir N/A test_check_correct N/A N/A self N/A N/A N/A subdir N/A N/A N/A os path join test_dir max_force N/A N/A N/A os chdir subdir N/A N/A N/A shutil copy INCAR INCAR.orig N/A N/A N/A shutil copy POSCAR POSCAR.orig N/A h N/A MaxForceErrorHandler N/A N/A N/A self assertTrue N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A MaxForce N/A N/A N/A os remove N/A N/A N/A os path join subdir error.1.tar.gz N/A incar N/A N/A Incar from_file INCAR N/A poscar N/A N/A Poscar from_file POSCAR N/A contcar N/A N/A Poscar from_file CONTCAR N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A shutil move POSCAR.orig POSCAR N/A N/A N/A self assertEqual N/A poscar structure N/A contcar structure N/A N/A N/A self assertAlmostEqual N/A incar N/A EDIFFG 0.005 N/A tearDown N/A N/A self N/A N/A N/A N/A N/A os chdir cwd N/A N/A WalltimeHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A self N/A N/A N/A N/A N/A os chdir test_dir N/A test_check_and_correct N/A N/A self N/A N/A N/A h N/A WalltimeHandler wall_time 3600 buffer_time 120 N/A N/A N/A self assertFalse N/A N/A h check N/A N/A h start_time N/A N/A N/A N/A datetime datetime now N/A N/A datetime timedelta minutes 59 N/A N/A N/A self assertTrue N/A N/A h check N/A h N/A WalltimeHandler wall_time 3720 buffer_time 10 N/A N/A h start_time N/A N/A N/A N/A datetime datetime now N/A N/A datetime timedelta minutes 62 N/A N/A N/A self assertTrue N/A N/A h check N/A N/A N/A h correct N/A N/A open STOPCAR f N/A N/A content N/A N/A f read N/A N/A N/A self assertEqual content LSTOP = .TRUE. N/A N/A N/A os remove STOPCAR N/A h N/A WalltimeHandler wall_time 3600 buffer_time 120 electronic_step_stop True N/A N/A N/A self assertFalse N/A N/A h check N/A N/A h start_time N/A N/A N/A N/A datetime datetime now N/A N/A datetime timedelta minutes 59 N/A N/A N/A self assertTrue N/A N/A h check N/A N/A N/A h correct N/A N/A open STOPCAR f N/A N/A content N/A N/A f read N/A N/A N/A self assertEqual content LABORT = .TRUE. N/A N/A N/A os remove STOPCAR N/A tearDownClass N/A N/A cls N/A N/A N/A N/A N/A os chdir cwd N/A classmethod N/A PositiveEnergyHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A cls N/A N/A N/A N/A N/A os chdir test_dir N/A test_check_correct N/A N/A self N/A N/A N/A subdir N/A N/A N/A os path join test_dir positive_energy N/A N/A N/A os chdir subdir N/A N/A N/A shutil copy INCAR INCAR.orig N/A N/A N/A shutil copy POSCAR POSCAR.orig N/A h N/A PositiveEnergyErrorHandler N/A N/A N/A self assertTrue N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A Positive energy N/A N/A N/A os remove N/A N/A N/A os path join subdir error.1.tar.gz N/A incar N/A N/A Incar from_file INCAR N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A shutil move POSCAR.orig POSCAR N/A N/A N/A self assertEqual N/A incar N/A ALGO Normal N/A tearDownClass N/A N/A cls N/A N/A N/A N/A N/A os chdir cwd N/A classmethod N/A PotimHandlerTest N/A N/A unittest TestCase N/A setUp N/A N/A cls N/A N/A N/A N/A N/A os chdir test_dir N/A test_check_correct N/A N/A self N/A N/A N/A subdir N/A N/A N/A os path join test_dir potim N/A N/A N/A os chdir subdir N/A N/A N/A shutil copy INCAR INCAR.orig N/A N/A N/A shutil copy POSCAR POSCAR.orig N/A incar N/A N/A Incar from_file INCAR N/A original_potim N/A incar N/A POTIM N/A h N/A PotimErrorHandler N/A N/A N/A self assertTrue N/A N/A h check N/A d N/A N/A h correct N/A N/A N/A self assertEqual N/A d N/A errors N/A POTIM N/A N/A N/A os remove N/A N/A N/A os path join subdir error.1.tar.gz N/A incar N/A N/A Incar from_file INCAR N/A new_potim N/A incar N/A POTIM N/A N/A N/A shutil move INCAR.orig INCAR N/A N/A N/A shutil move POSCAR.orig POSCAR N/A N/A N/A self assertEqual original_potim new_potim N/A N/A N/A self assertEqual N/A incar N/A IBRION 3 N/A tearDownClass N/A N/A cls N/A N/A N/A N/A N/A os chdir cwd N/A classmethod N/A N/A N/A __name__ __main__ N/A N/A N/A N/A unittest main