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MD-Bench/gromacs
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Rafael Ravedutti aae29a5b5a Add code to read GRO files 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-03 20:03:33 +01:00
..
includes
Add code to read GRO files
2022-03-03 20:03:33 +01:00
allocate.c
Add first version with more than one optimization scheme
2022-01-17 14:15:02 +01:00
atom.c
Add code to read GRO files
2022-03-03 20:03:33 +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 clusters efficiency on stats
2022-02-28 16:10:09 +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 code to read GRO files
2022-03-03 20:03:33 +01:00
neighbor.c
Add prunning kernel
2022-02-28 17:20:39 +01:00
pbc.c
Add first kernel using SIMD instrinsics for 4xn cases
2022-02-02 18:00:44 +01:00
stats.c
Add clusters efficiency on stats
2022-02-28 16:10:09 +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
Separate local and ghost cluster edges on VTK output
2022-02-08 16:12:22 +01:00
xtc.c
Add SIMD version with AVX (no AVX2) and XTC output
2022-03-02 23:12:04 +01:00