sPuReMD: corrections to Berendsen thermostat with NVT (fix velocity scaling and thresholding). (0be1507c) · Commits · SParTA / PuReMD · GitLab

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0be1507c

Commit 0be1507c authored 4 years ago by Kurt A. O'Hearn

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sPuReMD: corrections to Berendsen thermostat with NVT (fix velocity scaling and thresholding).

parent 35394c7e

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sPuReMD/src/integrate.c 50 additions, 37 deletions

sPuReMD/src/integrate.c
sPuReMD/src/reax_types.h 9 additions, 9 deletions

sPuReMD/src/reax_types.h
sPuReMD/src/spuremd.c 4 additions, 1 deletion

sPuReMD/src/spuremd.c

with 63 additions and 47 deletions

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