ShakeNBreak Package#
Module contents#
ShakeNBreak is a defect structure-searching method employing chemically-guided bond distortions to locate ground-state and metastable structures of point defects in solid materials.
Submodules#
- shakenbreak.input module
- shakenbreak.distortions module
- shakenbreak.io module
- shakenbreak.analysis module
- shakenbreak.plotting module
- shakenbreak.energy_lowering_distortions module
- shakenbreak.cli module