Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Missing molecules/* files ? #34

Open
paulboone opened this issue Feb 24, 2022 · 0 comments
Open

Missing molecules/* files ? #34

paulboone opened this issue Feb 24, 2022 · 0 comments

Comments

@paulboone
Copy link

paulboone commented Feb 24, 2022 •
edited
Loading

The commit 08c21c8 [Updated examples] deleted all the molecule files for all the directories in molecules/ (except for the ExampleDefinitions directory. So there is no longer TraPPE, TraPPE-EH, TraPPE-UA, CastilloVlugtCalero2009, or EPM2 molecule definitions. The Makefiles are still there. I can work around this (we have used these definitions in the past for automated tests to make sure our RASPA build or other dependent code is working), but I wanted to see if this was intentional or an accident...? Thanks!!
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@paulboone