Rafael Ravedutti da3b1dd53f Add extended parameter option --param ...

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

2023-11-21 15:27:11 +01:00

..

cuda

Change function get_num_threads to get_cuda_num_threads

2023-11-21 14:40:19 +01:00

includes

Integrate GROMACS GPU implementation into master branch

2022-11-08 18:33:23 +01:00

atom.c

Fix code for AVX and remove warnings

2022-11-08 15:30:37 +01:00

device_spec.c

Integrate GROMACS GPU implementation into master branch

2022-11-08 18:33:23 +01:00

force_dem.c

Switch copyright header in source files.

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

force_eam.c

Move likwid marker calls into OpenMP parallel region

2023-01-22 15:33:05 +01:00

force_lj.c

Include masked out interactions from remainder in atoms_outside_cutoff

2023-04-09 03:44:21 +02:00

main-stub.c

Fix stubbed versions and debug messages

2023-03-30 03:49:57 +02:00

main.c

Add extended parameter option --param

2023-11-21 15:27:11 +01:00

neighbor.c

Fix atom sorting

2023-04-09 01:19:12 +02:00

pbc.c

Fix PBC case

2023-10-10 12:53:43 +02:00

stats.c

Switch copyright header in source files.

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

tracing.c

Switch copyright header in source files.

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

vtk.c

Switch copyright header in source files.

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