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6fdfe307

Commit 6fdfe307 authored 6 years ago by Kurt A. O'Hearn

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sPuReMD: fix small differences in valence angle energy term with Fortran...

sPuReMD: fix small differences in valence angle energy term with Fortran ReaxFF code. Other minor code updates.

parent 32a57adf

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sPuReMD/src/box.c 2 additions, 0 deletions

sPuReMD/src/box.c
sPuReMD/src/forces.c 2 additions, 2 deletions

sPuReMD/src/forces.c
sPuReMD/src/geo_tools.c 5 additions, 5 deletions

sPuReMD/src/geo_tools.c
sPuReMD/src/three_body_interactions.c 57 additions, 49 deletions

sPuReMD/src/three_body_interactions.c
sPuReMD/src/tool_box.c 7 additions, 7 deletions

sPuReMD/src/tool_box.c
sPuReMD/src/tool_box.h 1 addition, 1 deletion

sPuReMD/src/tool_box.h

with 74 additions and 64 deletions

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