moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
Files
d79c3c2a1d313a09b5de95ae6047231987076d33
MD-Bench/gromacs
History
Rafael Ravedutti d79c3c2a1d Add first working version with 4x8 config (ref kernel) 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-10 22:33:41 +01:00
..
includes
Add first working version with 4x8 config (ref kernel)
2022-03-10 22:33:41 +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 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 first working version with 4x8 config (ref kernel)
2022-03-10 22:33:41 +01:00
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 working version with 4x8 config (ref kernel)
2022-03-10 22:33:41 +01:00
neighbor.c
Add first working version with 4x8 config (ref kernel)
2022-03-10 22:33:41 +01:00
parameter.c
Allow parameter reading from files and update data
2022-03-05 03:21:52 +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