sPuReMD: finalize sPuReMD multiple consecutive simulation code (for... (78362ca3) · Commits · SParTA / PuReMD · GitLab

Skip to content

GitLab

Explore

Sign in

Primary navigation

Project

P

PuReMD
- Activity
- Members
- Labels
- Issues
- Issue boards
- Milestones
- Iterations
- Wiki
- Requirements
- Releases
- Model registry
- Incidents

Snippets Groups Projects

78362ca3

Commit 78362ca3 authored 4 years ago by Kurt A. O'Hearn

Downloads
- Patches
- Plain Diff

sPuReMD: finalize sPuReMD multiple consecutive simulation code (for...

sPuReMD: finalize sPuReMD multiple consecutive simulation code (for integration with other codebases).

parent 3058cefb

Loading

Changes 16

Expand all Hide whitespace changes

Inline Side-by-side

Showing

sPuReMD/src/charges.c 71 additions, 295 deletions

sPuReMD/src/charges.c
sPuReMD/src/charges.h 4 additions, 3 deletions

sPuReMD/src/charges.h
sPuReMD/src/ffield.c 50 additions, 16 deletions

sPuReMD/src/ffield.c
sPuReMD/src/forces.c 4 additions, 4 deletions

sPuReMD/src/forces.c
sPuReMD/src/forces.h 4 additions, 4 deletions

sPuReMD/src/forces.h
sPuReMD/src/init_md.c 25 additions, 25 deletions

sPuReMD/src/init_md.c
sPuReMD/src/init_md.h 3 additions, 0 deletions

sPuReMD/src/init_md.h
sPuReMD/src/integrate.c 11 additions, 14 deletions

sPuReMD/src/integrate.c
sPuReMD/src/integrate.h 13 additions, 13 deletions

sPuReMD/src/integrate.h
sPuReMD/src/lin_alg.c 22 additions, 21 deletions

sPuReMD/src/lin_alg.c
sPuReMD/src/lin_alg.h 2 additions, 2 deletions

sPuReMD/src/lin_alg.h
sPuReMD/src/list.c 22 additions, 0 deletions

sPuReMD/src/list.c
sPuReMD/src/reax_types.h 18 additions, 3 deletions

sPuReMD/src/reax_types.h
sPuReMD/src/spuremd.c 60 additions, 12 deletions

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

sPuReMD/src/spuremd.h
tools/driver.py 25 additions, 4 deletions

tools/driver.py

with 338 additions and 417 deletions

Loading

0% Loading or .

You are about to add 0 people to the discussion. Proceed with caution.

Finish editing this message first!

Please register or sign in to comment