search

QMCPACK / pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database
https://pseudopotentiallibrary.org
13 stars 14 forks source link

Fixed raised issues with ccECP-soft files #85

Closed bkincaid256 closed 1 year ago

bkincaid256 commented 1 year ago

Updated ccECP-soft file names to be in line with format Ye Luo established. Fixed core electron count in ccECP-soft molpro, dirac, gamess, and nwchem files as raised in the most recent issue by djstaros.

prckent commented 1 year ago

Thanks Ben. By eye this seems to consistently update the filenames.