PuReMD: monkey-patch new control file format for interfacing with tools/run_sim.py. (62adf400) · Commits · SParTA / PuReMD · GitLab

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62adf400

Commit 62adf400 authored 6 years ago by Kurt A. O'Hearn

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PuReMD: monkey-patch new control file format for interfacing with tools/run_sim.py.

parent 99c6a251

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PuReMD/src/control.c 436 additions, 348 deletions

PuReMD/src/control.c
PuReMD/src/forces.c 1 addition, 1 deletion

PuReMD/src/forces.c
PuReMD/src/linear_solvers.c 2 additions, 2 deletions

PuReMD/src/linear_solvers.c
PuReMD/src/qEq.c 6 additions, 6 deletions

PuReMD/src/qEq.c
PuReMD/src/reax_types.h 164 additions, 42 deletions

PuReMD/src/reax_types.h
PuReMD/src/tool_box.c 62 additions, 0 deletions

PuReMD/src/tool_box.c
PuReMD/src/tool_box.h 4 additions, 0 deletions

PuReMD/src/tool_box.h
PuReMD/src/traj.c 1 addition, 1 deletion

PuReMD/src/traj.c

with 676 additions and 400 deletions

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