sPuReMD: refactoring: revise solver code, memory management, and logging. (40b3e473) · 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

40b3e473

Commit 40b3e473 authored 7 years ago by Kurt A. O'Hearn

Downloads
- Patches
- Plain Diff

sPuReMD: refactoring: revise solver code, memory management, and logging.

parent 53be74a6

No related branches found

No related tags found

No related merge requests found

Changes 14

Hide whitespace changes

Inline Side-by-side

Showing

sPuReMD/src/charges.c 29 additions, 39 deletions

sPuReMD/src/charges.c
sPuReMD/src/ffield.c 42 additions, 21 deletions

sPuReMD/src/ffield.c
sPuReMD/src/forces.c 2 additions, 5 deletions

sPuReMD/src/forces.c
sPuReMD/src/geo_tools.c 21 additions, 16 deletions

sPuReMD/src/geo_tools.c
sPuReMD/src/grid.c 67 additions, 34 deletions

sPuReMD/src/grid.c
sPuReMD/src/init_md.c 149 additions, 74 deletions

sPuReMD/src/init_md.c
sPuReMD/src/lin_alg.c 427 additions, 353 deletions

sPuReMD/src/lin_alg.c
sPuReMD/src/lin_alg.h 6 additions, 6 deletions

sPuReMD/src/lin_alg.h
sPuReMD/src/lookup.c 50 additions, 25 deletions

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

sPuReMD/src/mytypes.h
sPuReMD/src/restart.c 32 additions, 12 deletions

sPuReMD/src/restart.c
sPuReMD/src/spuremd.c 2 additions, 1 deletion

sPuReMD/src/spuremd.c
sPuReMD/src/tool_box.c 9 additions, 21 deletions

sPuReMD/src/tool_box.c
sPuReMD/src/tool_box.h 1 addition, 1 deletion

sPuReMD/src/tool_box.h

with 839 additions and 608 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