Skip to content

GitLab

Explore

Sign in
Register

Primary navigation

Project

P

pycgtool
- Activity
- Members
- Labels
- Issues
- Issue boards
- Milestones
- Wiki
- Releases
- Model registry
- Incidents

Snippets Groups Projects

ede6ec50

Commit ede6ec50 authored 8 years ago by James Graham

Downloads
- Patches
- Plain Diff

Use GROMACS potential type ids in itp file output

parent c638290d

No related branches found

No related tags found

No related merge requests found

Changes 5

Hide whitespace changes

Inline Side-by-side

Showing

pycgtool/bondset.py 3 additions, 3 deletions

pycgtool/bondset.py
pycgtool/functionalforms.py 33 additions, 2 deletions

pycgtool/functionalforms.py
test/data/sugar_out.itp 6 additions, 6 deletions

test/data/sugar_out.itp
test/test_bondset.py 24 additions, 24 deletions

test/test_bondset.py
test/test_functionalforms.py 2 additions, 0 deletions

test/test_functionalforms.py

with 68 additions and 35 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