taylor-a-barnes 74db24110f Fix bug when using mdi_engine command in parallel

2021-05-12 18:31:10 -04:00

..

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

Fix bug when using mdi_engine command in parallel

2021-05-12 18:31:10 -04:00

pkgconfig

remove LAMMPS_LIB_SUFFIX variable and use LAMMPS_MACHINE instead.

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

presets

add USER-BROWNIAN package to various package management files

2021-05-11 17:59:02 -04:00

CMakeLists.txt

Added initial MolSSI Driver interface

2021-05-12 18:31:10 -04:00

LAMMPSConfig.cmake.in

cmake: fftw is now a private dep

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