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pair_pace.cpp: check that units are "metal"

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update ace-evaluator (download link + md5sum in cmake and make build systems):  accept multilines comment at the beginning of potential.ace file
add first comment line for potentials/Cu-PBE-core-rep.ace
This commit is contained in:
Yury Lysogorskiy
2021-04-09 13:31:40 +02:00
parent 0aee75857a
commit 7b45b691f4
4 changed files with 16 additions and 7 deletions
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4
cmake/Modules/Packages/USER-PACE.cmake
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@ -1,6 +1,6 @@
set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2021.2.3.upd2.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
set(PACELIB_MD5 "8fd1162724d349b930e474927197f20d" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2021.4.9.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
set(PACELIB_MD5 "4db54962fbd6adcf8c18d46e1798ceb5" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
mark_as_advanced(PACELIB_URL)
mark_as_advanced(PACELIB_MD5)