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Bugfix: initial setup of packmol.ini file #27

Bugfix: initial setup of packmol.ini file

Bugfix: initial setup of packmol.ini file #27

Workflow file for this run

name: "CodeQL"
on:
push:
branches: [ "main" ]
pull_request:
# The branches below must be a subset of the branches above
branches: [ "main" ]
jobs:
codeql:
name: CodeQL
uses: molssi-seamm/devops/.github/workflows/CodeQL.yaml@main