Rafael Ravedutti c7360305c8 Add first draft version of GROMACS method separating i-clusters and j-clusters ...

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>

2022-03-09 02:25:39 +01:00

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includes

Add first draft version of GROMACS method separating i-clusters and j-clusters

2022-03-09 02:25:39 +01:00

allocate.c

Add first version with more than one optimization scheme

2022-01-17 14:15:02 +01:00

atom.c

Allow parameter reading from files and update data

2022-03-05 03:21:52 +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 draft version of GROMACS method separating i-clusters and j-clusters

2022-03-09 02:25:39 +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

Allow parameter reading from files and update data

2022-03-05 03:21:52 +01:00

neighbor.c

Add first draft version of GROMACS method separating i-clusters and j-clusters

2022-03-09 02:25:39 +01:00

parameter.c

Allow parameter reading from files and update data

2022-03-05 03:21:52 +01:00

pbc.c

Add first draft version of GROMACS method separating i-clusters and j-clusters

2022-03-09 02:25:39 +01:00

stats.c

Add clusters efficiency on stats

2022-02-28 16:10:09 +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

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