Begin refactoring code to facilate other charge methods (EEM, ACKS2, etc.). (a27584a5) · Commits · SParTA / PuReMD · GitLab

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a27584a5

Commit a27584a5 authored 8 years ago by Kurt A. O'Hearn

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Begin refactoring code to facilate other charge methods (EEM, ACKS2, etc.).

parent cc147e5f

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Changes 8

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environ/param.gpu.water 10 additions, 9 deletions

environ/param.gpu.water
sPuReMD/src/QEq.c 35 additions, 35 deletions

sPuReMD/src/QEq.c
sPuReMD/src/allocate.c 2 additions, 0 deletions

sPuReMD/src/allocate.c
sPuReMD/src/control.c 36 additions, 30 deletions

sPuReMD/src/control.c
sPuReMD/src/forces.c 170 additions, 40 deletions

sPuReMD/src/forces.c
sPuReMD/src/lin_alg.c 13 additions, 13 deletions

sPuReMD/src/lin_alg.c
sPuReMD/src/mytypes.h 16 additions, 10 deletions

sPuReMD/src/mytypes.h
sPuReMD/src/traj.c 1 addition, 1 deletion

sPuReMD/src/traj.c

with 283 additions and 138 deletions

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