pymatgen.transformations package
Subpackages
Submodules
- pymatgen.transformations.advanced_transformations module
AddAdsorbateTransformation
ChargeBalanceTransformation
CubicSupercellTransformation
DisorderOrderedTransformation
DopingTransformation
EnumerateStructureTransformation
GrainBoundaryTransformation
MagOrderParameterConstraint
MagOrderingTransformation
MonteCarloRattleTransformation
MultipleSubstitutionTransformation
SQSTransformation
SlabTransformation
SubstituteSurfaceSiteTransformation
SubstitutionPredictorTransformation
SuperTransformation
- pymatgen.transformations.site_transformations module
AddSitePropertyTransformation
InsertSitesTransformation
PartialRemoveSitesTransformation
PartialRemoveSitesTransformation.ALGO_BEST_FIRST
PartialRemoveSitesTransformation.ALGO_COMPLETE
PartialRemoveSitesTransformation.ALGO_ENUMERATE
PartialRemoveSitesTransformation.ALGO_FAST
PartialRemoveSitesTransformation.apply_transformation()
PartialRemoveSitesTransformation.inverse
PartialRemoveSitesTransformation.is_one_to_many
RadialSiteDistortionTransformation
RemoveSitesTransformation
ReplaceSiteSpeciesTransformation
TranslateSitesTransformation
- pymatgen.transformations.standard_transformations module
AutoOxiStateDecorationTransformation
ChargedCellTransformation
ConventionalCellTransformation
DeformStructureTransformation
DiscretizeOccupanciesTransformation
OrderDisorderedStructureTransformation
OrderDisorderedStructureTransformation.ALGO_BEST_FIRST
OrderDisorderedStructureTransformation.ALGO_COMPLETE
OrderDisorderedStructureTransformation.ALGO_FAST
OrderDisorderedStructureTransformation.apply_transformation()
OrderDisorderedStructureTransformation.inverse
OrderDisorderedStructureTransformation.is_one_to_many
OrderDisorderedStructureTransformation.lowest_energy_structure
OxidationStateDecorationTransformation
OxidationStateRemovalTransformation
PartialRemoveSpecieTransformation
PartialRemoveSpecieTransformation.ALGO_BEST_FIRST
PartialRemoveSpecieTransformation.ALGO_COMPLETE
PartialRemoveSpecieTransformation.ALGO_ENUMERATE
PartialRemoveSpecieTransformation.ALGO_FAST
PartialRemoveSpecieTransformation.apply_transformation()
PartialRemoveSpecieTransformation.inverse
PartialRemoveSpecieTransformation.is_one_to_many
PerturbStructureTransformation
PrimitiveCellTransformation
RemoveSpeciesTransformation
RotationTransformation
ScaleToRelaxedTransformation
SubstitutionTransformation
SupercellTransformation
- pymatgen.transformations.transformation_abc module
Module contents
The transformations package defines various transformations that can be applied on structures, i.e., converting one structure to another.