Releases: chrisjsewell/ejplugins
Releases · chrisjsewell/ejplugins
include license in sdist
v0.11.1 include license in sdist
remove top-level imports
v0.11.0 remove top-level imports
made Pymatgen and ASE optional dependencies
v0.10.0 fix optional dependencies
CRYSTAL: added symmetry operation parsing
v0.9.7 crystal: added symmetry operation parsing
Corrected cell vector association (with primitive not crystallograpic)
v0.9.6 corrected cell vector association (with primitive not crystallograpic)
Encode_SymmOp bug fix
v0.9.5 Encode_SymmOp bug fix
added Encode_SymmOp
v0.9.4 added Encode_SymmOp
added allow_other_keys=True for pymatgen decoder
v0.9.3 added allow_other_keys for pymatgen decoder
Minor improvements
- Pymatgen decoder: altered decoder to handle Slabs and output a more streamlined str
- CRYSTAL parser: bug fix for if an optimisation step fails
Crystal Output Validation; removed requirements not met by non-spin calculations
v0.9.1 Crystal Output Validation; removed requirements not met by non-spin c…