pymatgen.transformations package
Subpackages
Submodules
- pymatgen.transformations.advanced_transformations module
AddAdsorbateTransformationChargeBalanceTransformationCubicSupercellTransformationDisorderOrderedTransformationDopingTransformationEnumerateStructureTransformationGrainBoundaryTransformationMagOrderParameterConstraintMagOrderingTransformationMonteCarloRattleTransformationMultipleSubstitutionTransformationSQSTransformationSlabTransformationSubstituteSurfaceSiteTransformationSubstitutionPredictorTransformationSuperTransformation
- pymatgen.transformations.site_transformations module
AddSitePropertyTransformationInsertSitesTransformationPartialRemoveSitesTransformationPartialRemoveSitesTransformation.ALGO_BEST_FIRSTPartialRemoveSitesTransformation.ALGO_COMPLETEPartialRemoveSitesTransformation.ALGO_ENUMERATEPartialRemoveSitesTransformation.ALGO_FASTPartialRemoveSitesTransformation.apply_transformation()PartialRemoveSitesTransformation.inversePartialRemoveSitesTransformation.is_one_to_many
RadialSiteDistortionTransformationRemoveSitesTransformationReplaceSiteSpeciesTransformationTranslateSitesTransformation
- pymatgen.transformations.standard_transformations module
AutoOxiStateDecorationTransformationChargedCellTransformationConventionalCellTransformationDeformStructureTransformationDiscretizeOccupanciesTransformationOrderDisorderedStructureTransformationOrderDisorderedStructureTransformation.ALGO_BEST_FIRSTOrderDisorderedStructureTransformation.ALGO_COMPLETEOrderDisorderedStructureTransformation.ALGO_FASTOrderDisorderedStructureTransformation.apply_transformation()OrderDisorderedStructureTransformation.inverseOrderDisorderedStructureTransformation.is_one_to_manyOrderDisorderedStructureTransformation.lowest_energy_structure
OxidationStateDecorationTransformationOxidationStateRemovalTransformationPartialRemoveSpecieTransformationPartialRemoveSpecieTransformation.ALGO_BEST_FIRSTPartialRemoveSpecieTransformation.ALGO_COMPLETEPartialRemoveSpecieTransformation.ALGO_ENUMERATEPartialRemoveSpecieTransformation.ALGO_FASTPartialRemoveSpecieTransformation.apply_transformation()PartialRemoveSpecieTransformation.inversePartialRemoveSpecieTransformation.is_one_to_many
PerturbStructureTransformationPrimitiveCellTransformationRemoveSpeciesTransformationRotationTransformationScaleToRelaxedTransformationSubstitutionTransformationSupercellTransformation
- 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.