moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
MD-Bench/gromacs
History
Rafael Ravedutti 022aa75c75 Add cutoff radius and skin as parameters of simulation 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-28 22:34:42 +01:00
..
includes
Add cutoff radius and skin as parameters of simulation
2022-02-28 22:34:42 +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 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 cutoff radius and skin as parameters of simulation
2022-02-28 22:34:42 +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