Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
P
PuReMD
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Iterations
Wiki
Requirements
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Locked files
Deploy
Releases
Model registry
Monitor
Incidents
Analyze
Value stream analytics
Contributor analytics
Repository analytics
Code review analytics
Issue analytics
Insights
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
SParTA
PuReMD
Commits
ce38bd03
Commit
ce38bd03
authored
3 years ago
by
Kaymak, Cagri
Browse files
Options
Downloads
Patches
Plain Diff
add support for dummy atom (only in BGF format with 'X' keyword for dummy atoms')
parent
4b61f65a
No related branches found
Branches containing commit
No related tags found
No related merge requests found
Changes
3
Hide whitespace changes
Inline
Side-by-side
Showing
3 changed files
sPuReMD/src/forces.c
+133
-130
133 additions, 130 deletions
sPuReMD/src/forces.c
sPuReMD/src/geo_tools.c
+6
-1
6 additions, 1 deletion
sPuReMD/src/geo_tools.c
sPuReMD/src/reax_types.h
+2
-0
2 additions, 0 deletions
sPuReMD/src/reax_types.h
with
141 additions
and
131 deletions
Loading
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment
