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

..

allocate.h

Add first version with more than one optimization scheme

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

atom.h

Write function to read PDB files and include data for Argon simulation

2022-02-24 02:36:17 +01:00

eam.h

Add first version with more than one optimization scheme

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

likwid-marker.h

Add first version with more than one optimization scheme

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

neighbor.h

Fix some segfaults and add function to update single atoms

2022-01-27 03:07:31 +01:00

parameter.h

Add first version with more than one optimization scheme

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

pbc.h

Perform a few fixes for gromacs variant

2022-01-31 17:49:22 +01:00

simd.h

Add version with AVX2 intrinsics for gromacs scheme

2022-02-04 17:52:48 +01:00

stats.h

Add percentage of atoms within cutoff radius when using GROMACS reference version

2022-02-25 14:19:48 +01:00

thermo.h

Add first version with more than one optimization scheme

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

timers.h

Add first version with more than one optimization scheme

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

timing.h

Add first version with more than one optimization scheme

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

tracing.h

Add first version with more than one optimization scheme

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

util.h

Fix exclusion masks and add SIMD debug tools

2022-02-02 21:54:18 +01:00

vtk.h

Separate local and ghost cluster edges on VTK output

2022-02-08 16:12:22 +01:00