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Added support for --molden and --json output specifications in xtb #94

Added support for --molden and --json output specifications in xtb

Added support for --molden and --json output specifications in xtb #94

Workflow file for this run

name: Lint
on: [push]
jobs:
lint:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Set up Python
uses: actions/setup-python@v1
with:
python-version: 3.8
- name: Install Black
run: pip install black
- name: Run linters
uses: samuelmeuli/lint-action@v2.3.0
with:
github_token: ${{ secrets.github_token }}
black: true
auto_fix: true
commit_message: "Code style standardization"