Rafael Ravedutti 3eb7170a65 Adapt stubbed version for new neighbor lists in GROMACS ...

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

2023-03-29 21:54:33 +02:00

..

cuda

Small fixes into GROMACS GPU code

2022-11-14 18:21:14 +01:00

includes

Pre-compute masks for 4xn kernels

2023-03-28 22:30:30 +02:00

atom.c

Pre-compute masks for 4xn kernels

2023-03-28 22:30:30 +02:00

force_eam.c

Switch copyright header in source files.

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

force_lj.c

Last changes to 2xnn kernels

2023-03-28 23:34:07 +02:00

main-stub.c

Adapt stubbed version for new neighbor lists in GROMACS

2023-03-29 21:54:33 +02:00

main.c

Small fixes into GROMACS GPU code

2022-11-14 18:21:14 +01:00

neighbor.c

Pre-compute masks for 2xnn kernel with full neighbor-lists

2023-03-28 19:33:26 +02:00

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