Commit Graph

10 Commits

Author SHA1 Message Date
Rafael Ravedutti
039de0be99 Fix stubbed versions and debug messages
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2023-03-30 03:49:57 +02:00
Rafael Ravedutti
15d43dcce5 Explicitly set half_neigh to zero on stubbed versions
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-12-14 17:21:09 +01:00
Jan Eitzinger
3d0f4b97ee Switch copyright header in source files. 2022-09-05 10:39:42 +02:00
Rafael Ravedutti
3d95ec4b0a Small fixes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-08-09 19:19:48 +02:00
Rafael Ravedutti
79483a446e Adjust code with DEM to be compilable
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-07-06 01:07:39 +02:00
Rafael Ravedutti
e4d7faf91b Adjust cutforce and atom positions in stubbed version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-05-14 01:02:08 +02:00
Rafael Ravedutti
bbdcaf2983 New stubbed version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-05-14 00:55:33 +02:00
Rafael Ravedutti
14838389ff Fix stubbed variant for LAMMPS algorithm
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-04-30 04:08:18 +02:00
Rafael Ravedutti
d61576699d Add first compilable version of Gromacs with SP
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-15 02:40:56 +01:00
Rafael Ravedutti
aa0f4048d0 Rename default directory to lammps and reorganize gromacs variant steps
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-01-25 21:00:11 +01:00