TejeshPala 7ee250161a omp_get_max_threads instead of omp_get_num_threads for gcc compiler adaption ...

Signed-off-by: TejeshPala <tejesh.pala@fau.de>

2024-01-13 15:09:03 +01:00

..

cuda

Small fixes into GROMACS GPU code

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

includes

Adjust neighbor lists layout to keep neighbor ids contiguous in memory

2023-03-30 01:57:26 +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

schedule options for force kernels and to print in main fn

2024-01-11 17:09:18 +01:00

main-stub.c

Fix stubbed versions and debug messages

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

main.c

omp_get_max_threads instead of omp_get_num_threads for gcc compiler adaption

2024-01-13 15:09:03 +01:00

neighbor.c

Fix GROMACS AVX2 code

2023-04-07 21:54:07 +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

Adjust neighbor lists layout to keep neighbor ids contiguous in memory

2023-03-30 01:57:26 +02:00

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