Closed Jeet-Majumdar closed 1 year ago
Hi @Jeet-Majumdar, thanks for the contribution! It looks like some of the files you added shouldn't be included - build/
dist
/, intermol.egg-info
- could you remove those files from tracking? You probably ran git add .
which can work fine in some situations, but these files are just the local install on your machine and don't need to be tracked in the repo.
I'll update the .gitignore
to be more helpful here as well
Hi @mattwthompson, yes, it was also looking weird to me as well. You were right. I ran git add .
Updated in the new commit. Thanks!
Thanks!
Hi @mattwthompson, can this PR be merged? Thanks
Is anyone going to merge this?
Set the last column of LAMMPS OPLS dihedral coefficient to 0, and parse LAMMPS cvff improper.