Rafael Ravedutti e72323ab6a Fix Simd2xnn Kernel with half neighbor lists and add AVX512 intrinsics with double ...

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

2022-03-23 15:21:07 +01:00

..

includes

Fix Simd2xnn Kernel with half neighbor lists and add AVX512 intrinsics with double

2022-03-23 15:21:07 +01:00

allocate.c

Add first version with more than one optimization scheme

2022-01-17 14:15:02 +01:00

atom.c

Add first working version with 4x8 config (ref kernel)

2022-03-10 22:33:41 +01:00

eam_utils.c

Add first version with more than one optimization scheme

2022-01-17 14:15:02 +01:00

force_eam.c

Add first version of force calculation with cluster scheme

2022-01-28 18:07:41 +01:00

force_lj.c

Fix reference version with half neighbor lists

2022-03-23 14:31:47 +01:00

main-stub.c

Add first draft version of GROMACS method separating i-clusters and j-clusters

2022-03-09 02:25:39 +01:00

main.c

Add first version for half neighbor lists in GROMACS variant

2022-03-22 23:47:05 +01:00

neighbor.c

Add first version for half neighbor lists in GROMACS variant

2022-03-22 23:47:05 +01:00

parameter.c

Add first version for half neighbor lists in GROMACS variant

2022-03-22 23:47:05 +01:00

pbc.c

Add first working version with 4x8 config (ref kernel)

2022-03-10 22:33:41 +01:00

stats.c

Make code compilable

2022-03-09 17:23:49 +01:00

thermo.c

Allow parameter reading from files and update data

2022-03-05 03:21:52 +01:00

timing.c

Add first version with more than one optimization scheme

2022-01-17 14:15:02 +01:00

tracing.c

Add first version of force calculation with cluster scheme

2022-01-28 18:07:41 +01:00

util.c

Add first version with more than one optimization scheme

2022-01-17 14:15:02 +01:00

vtk.c

Make code compilable

2022-03-09 17:23:49 +01:00

xtc.c

Make code compilable

2022-03-09 17:23:49 +01:00