Jan Eitzinger 5585ebcf42 Add ONEAPI config. Remove omp simd for full neigh.

2022-04-01 15:57:54 +02:00

..

includes

Change data layout for force arrays according to position

2022-03-18 01:40:51 +01:00

allocate.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

atom.c

Change data layout for force arrays according to position

2022-03-18 01:40:51 +01:00

eam_utils.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

force_eam.c

Change data layout for force arrays according to position

2022-03-18 01:40:51 +01:00

force_lj.c

Add ONEAPI config. Remove omp simd for full neigh.

2022-04-01 15:57:54 +02:00

main-stub.c

Add first compilable version of Gromacs with SP

2022-03-15 02:40:56 +01:00

main.c

Change data layout for force arrays according to position

2022-03-18 01:40:51 +01:00

neighbor.c

Refactor half neighbor lists code

2022-03-18 01:28:11 +01:00

parameter.c

Refactor half neighbor lists code

2022-03-18 01:28:11 +01:00

pbc.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

stats.c

Add percentage of atoms within cutoff radius when using LAMMPS reference version

2022-02-25 14:40:33 +01:00

thermo.c

Add parameter reading for LAMMPS variant

2022-03-17 02:44:34 +01:00

timing.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

tracing.c

Change data layout for force arrays according to position

2022-03-18 01:40:51 +01:00

util.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00

vtk.c

Rename default directory to lammps and reorganize gromacs variant steps

2022-01-25 21:00:11 +01:00