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Fixed bug in setting up packmol.ini. #47

Fixed bug in setting up packmol.ini.

Fixed bug in setting up packmol.ini. #47

Workflow file for this run

name: BranchCI
on:
push:
branches-ignore:
- 'main'
- 'master'
jobs:
branch-ci:
name: Branch CI
uses: molssi-seamm/devops/.github/workflows/BranchCI.yaml@main
with:
src : packmol_step