Merge branch 'master' into pg-puremd-charge-solver-opt-sdsc-hackaton. (a2128d6e) · Commits · SParTA / PuReMD · GitLab

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a2128d6e

Commit a2128d6e authored 3 years ago by Kurt A. O'Hearn

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Merge branch 'master' into pg-puremd-charge-solver-opt-sdsc-hackaton.

parents 8f3cb918 1ec5e509

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sPuReMD/src/box.c 12 additions, 20 deletions

sPuReMD/src/box.c
sPuReMD/src/grid.c 24 additions, 8 deletions

sPuReMD/src/grid.c
sPuReMD/src/init_md.c 8 additions, 8 deletions

sPuReMD/src/init_md.c
sPuReMD/src/integrate.c 13 additions, 10 deletions

sPuReMD/src/integrate.c
sPuReMD/src/io_tools.c 7 additions, 5 deletions

sPuReMD/src/io_tools.c
sPuReMD/src/io_tools.h 3 additions, 2 deletions

sPuReMD/src/io_tools.h
sPuReMD/src/reax_types.h 4 additions, 3 deletions

sPuReMD/src/reax_types.h
sPuReMD/src/system_props.c 5 additions, 4 deletions

sPuReMD/src/system_props.c
sPuReMD/src/tool_box.c 6 additions, 3 deletions

sPuReMD/src/tool_box.c
sPuReMD/src/traj.c 2 additions, 2 deletions

sPuReMD/src/traj.c

with 84 additions and 65 deletions

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