add per-atom array corerep_factor to all four pair styles: pace, pace/extrapolation, pace/kk, pace/extrapolation/kk

upd PACELIB_URL to v.2023.11.25 (+md5sum) in ML-PACE.cmake and Install.py
This commit is contained in:
Yury Lysogorskiy
2023-11-25 23:04:18 +01:00
parent bf498022cc
commit c0631c9bd2
10 changed files with 177 additions and 19 deletions

View File

@ -18,11 +18,11 @@ from install_helpers import fullpath, geturl, checkmd5sum, getfallback
# settings
thisdir = fullpath('.')
version ='v.2023.11.22'
version ='v.2023.11.25'
# known checksums for different PACE versions. used to validate the download.
checksums = { \
'v.2023.11.22': 'c8e811f96d761ef8863f5b88a3fd36f4'
'v.2023.11.25': 'fda61c88a6c6a335d5fc10a86a5aa710'
}
parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script")