v4.5.1

shyuep released this 16 Nov 04:40

1d77b81

You can now specify a different default functional choice for pymatgen by
setting DEFAULT_FUNCTIONAL in .pmgrc.yaml. For use with newer functional sets,
you need to specify PBE_52 or PBE_54 for example.
Swtich to ISYM 3 by default for HSE.
Updates to FEFF>
Misc bug fixes and startup speed improvements.

Assets 2