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MD-Bench/gromacs
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Rafael Ravedutti 7b90800a2b Setting forces to zero before calculation is not required 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-04 14:05:04 +01:00
..
includes
Fix exclusion masks and add SIMD debug tools
2022-02-02 21:54:18 +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 kernel using SIMD instrinsics for 4xn cases
2022-02-02 18:00:44 +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
Setting forces to zero before calculation is not required
2022-02-04 14:05:04 +01:00
main-stub.c
Add first version with more than one optimization scheme
2022-01-17 14:15:02 +01:00
main.c
Add first kernel using SIMD instrinsics for 4xn cases
2022-02-02 18:00:44 +01:00
neighbor.c
Add first kernel using SIMD instrinsics for 4xn cases
2022-02-02 18:00:44 +01:00
pbc.c
Add first kernel using SIMD instrinsics for 4xn cases
2022-02-02 18:00:44 +01:00
stats.c
Add first version with more than one optimization scheme
2022-01-17 14:15:02 +01:00
thermo.c
Add first version with more than one optimization scheme
2022-01-17 14:15:02 +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
Fix a few more bugs on gromacs variant
2022-01-31 23:46:20 +01:00