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MD-Bench/gromacs
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Rafael Ravedutti e637a26844 Add percentage of atoms within cutoff radius when using GROMACS reference version 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-25 14:19:48 +01:00
..
includes
Add percentage of atoms within cutoff radius when using GROMACS reference version
2022-02-25 14:19:48 +01:00
allocate.c
Add first version with more than one optimization scheme
2022-01-17 14:15:02 +01:00
atom.c
Add PDB reading functions to lammps variant
2022-02-24 15:17:51 +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 percentage of atoms within cutoff radius when using GROMACS reference version
2022-02-25 14:19:48 +01:00
main-stub.c
Add first version with more than one optimization scheme
2022-01-17 14:15:02 +01:00
main.c
Separate local and ghost cluster edges on VTK output
2022-02-08 16:12:22 +01:00
neighbor.c
Fix argon simulation
2022-02-24 16:42:58 +01:00
pbc.c
Add first kernel using SIMD instrinsics for 4xn cases
2022-02-02 18:00:44 +01:00
stats.c
Add percentage of atoms within cutoff radius when using GROMACS reference version
2022-02-25 14:19:48 +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