Yury Lysogorskiy 7b45b691f4 pair_pace.cpp: check that units are "metal" ...

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

2021-04-09 13:31:40 +02:00

..

etc/profile.d

correct shell profile variables to point to the installation directory

2019-07-26 09:58:18 -04:00

gpu

GPU: clean up part 2

2017-07-18 18:43:51 -06:00

iwyu

update iwyu custom mapping file

2020-09-04 09:41:57 -04:00

Modules

pair_pace.cpp: check that units are "metal"

2021-04-09 13:31:40 +02:00

pkgconfig

remove LAMMPS_LIB_SUFFIX variable and use LAMMPS_MACHINE instead.

2020-04-09 10:42:11 -04:00

presets

convert plugin functionality into a package

2021-03-16 23:00:16 -04:00

CMakeLists.txt

Merge branch 'master' into feature/user-pace

2021-04-07 16:26:26 -04:00

LAMMPSConfig.cmake.in

cmake: fftw is now a private dep

2020-05-15 13:42:51 -06:00