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MD-Bench/gromacs
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Rafael Ravedutti e48b3fb653 Add option to check if cj is local before applying reaction force 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-04-04 21:52:40 +02:00
..
includes
Fix AVX2 versions with half neighbor lists
2022-03-27 16:39:39 +02:00
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
Add option to check if cj is local before applying reaction force
2022-04-04 21:52:40 +02:00
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