lanl / lanl/LCC

pdb file created with Reorient=F

Open
#7 0 comments 0 reactions 1 assignee View on GitHub

@hs560115 is already working on this.

Since Sep 24, 2022.

Dominant language
Fortran
Stars
2
Forks
1
No merged PRs in 30d

Description

When using Reorient=F and cutting a slab via planes, the box boundaries are not correct in the pdb file. The code should check for this issue and warn the user to use Reorient=T if they want to use the pdb file that is produced.

Contributor guide

No contributing guide indexed for this repository

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.