- implementation of ZBL-core repulsion with smooth transition from ACE to ZBL + Kokkos implementation

- automatic BBasis(.yaml) to CTildeBasis(.yace) conversion for pair_pace
This commit is contained in:
Yury Lysogorskiy
2023-11-22 10:19:18 +01:00
parent 33dcfb5390
commit 77549414ae
7 changed files with 228 additions and 38 deletions

View File

@ -18,11 +18,11 @@ from install_helpers import fullpath, geturl, checkmd5sum, getfallback
# settings
thisdir = fullpath('.')
version ='v.2023.10.04'
version ='v.2023.11.22'
# known checksums for different PACE versions. used to validate the download.
checksums = { \
'v.2023.10.04': '70ff79f4e59af175e55d24f3243ad1ff'
'v.2023.11.22': 'c8e811f96d761ef8863f5b88a3fd36f4'
}
parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script")