search

robinzyb / cp2kdata

cp2k postprocessing tools
https://robinzyb.github.io/cp2kdata/
GNU Lesser General Public License v3.0
58 stars 18 forks source link

adapt to CP2K 2023.1 data format #17

Closed link89 closed 1 year ago

link89 commented 1 year ago

fix https://github.com/robinzyb/cp2kdata/issues/15, https://github.com/deepmodeling/dpdata/issues/508