Rafael Ravedutti a86d214c73 Add working version with old masking ...

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>

2023-03-28 02:19:46 +02:00

..

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 working version with old masking

2023-03-28 02:19:46 +02:00

force_eam.c

Switch copyright header in source files.

2022-09-05 10:39:42 +02:00

force_lj.c

Add working version with old masking

2023-03-28 02:19:46 +02:00

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