MD-Bench/gromacs
Rafael Ravedutti d138f975f6 Add diagonal checks
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2023-03-23 02:17:27 +01:00
..
cuda Small fixes into GROMACS GPU code 2022-11-14 18:21:14 +01:00
includes Add diagonal checks 2023-03-23 02:17:27 +01:00
atom.c Add diagonal checks 2023-03-23 02:17:27 +01:00
force_eam.c Switch copyright header in source files. 2022-09-05 10:39:42 +02:00
force_lj.c Add diagonal checks 2023-03-23 02:17:27 +01:00
main-stub.c Explicitly set half_neigh to zero on stubbed versions 2022-12-14 17:21:09 +01:00
main.c Small fixes into GROMACS GPU code 2022-11-14 18:21:14 +01:00
neighbor.c Set interaction masks as gromacs does 2023-03-23 00:58:25 +01:00
pbc.c Call CPU version of updatePbc within setupPbc 2022-11-14 19:19:57 +01:00
stats.c Switch copyright header in source files. 2022-09-05 10:39:42 +02:00
tracing.c Set interaction masks as gromacs does 2023-03-23 00:58:25 +01:00
vtk.c Switch copyright header in source files. 2022-09-05 10:39:42 +02:00
xtc.c Switch copyright header in source files. 2022-09-05 10:39:42 +02:00