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

data files for LAMMPS #95

Open

orbeckst opened this issue Oct 7, 2024 · 0 comments

Labels

dataset

Member

orbeckst commented Oct 7, 2024

We like to add support for LAMPPS to alchemlyb alchemistry/alchemlyb#349 .

PR alchemistry/alchemlyb#348 is addressing this issue. In order to test that code, data files from LAMMPS should be added to alchemtest.

orbeckst mentioned this issue

Lammps Support alchemistry/alchemlyb#348

Open

orbeckst added the dataset label

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment