Releases: materialsproject/custodian
Releases · materialsproject/custodian
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).