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MD-Bench/gromacs/includes
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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
..
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