sPuReMD: add options for spline extrapolation of charges. (fdddbbcb) · Commits · SParTA / PuReMD · GitLab

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fdddbbcb

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

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sPuReMD: add options for spline extrapolation of charges.

parent db2b222d

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environ/param.gpu.water 2 additions, 0 deletions

environ/param.gpu.water
sPuReMD/src/charges.c 84 additions, 41 deletions

sPuReMD/src/charges.c
sPuReMD/src/control.c 12 additions, 0 deletions

sPuReMD/src/control.c
sPuReMD/src/mytypes.h 2 additions, 0 deletions

sPuReMD/src/mytypes.h
tools/run_sim.py 6 additions, 0 deletions

tools/run_sim.py

with 106 additions and 41 deletions

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