Releases: materialsproject/custodian
Releases · materialsproject/custodian
v2019.2.10
See changes at https://materialsproject.github.io/custodian
v2019.2.7
See changes at https://materialsproject.github.io/custodian
v2018.8.9
See changes at https://materialsproject.github.io/custodian
v2018.6.11
See changes at https://materialsproject.github.io/custodian
v2018.3.10
See changes at https://materialsproject.github.io/custodian
v2017.12.23
See changes at https://materialsproject.github.io/custodian
Pymatgen 3 compatibility
- Custodian is now Python 3 compatible and uses the latest versions of
pymatgen and monty.
Custodian v0.7.5
- Major Custodian now exits with RuntimeError when max_errors or
unrecoverable_error is encountered. - Added BadVasprunXMLHandler.
Improvements to VASP handlers.
- auto_npar option in VaspJob now properly handles Hessian calculations.
- WalltimeHandler now supports termination at electronic step (David
Waroquiers). - Improved handling of BRMIX fixes.
Improvements to VASP and QChem error handling
- Improved backwards compatibility for WallTimeHandler.
- Improvements to VaspErrorHandler. No longer catches spurious BRMIX error
messages when NELECT is specified in INCAR, and pricel and rot_mat errors
are now fixed with symmetry precision and gamma centered KPOINTS instead. - Improved Qchem error handler (Xiaohui Qu).