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Added to the functionality and consolidated the code #10

Added to the functionality and consolidated the code

Added to the functionality and consolidated the code #10

Workflow file for this run

name: CI
on:
push:
branches:
- "main"
pull_request:
branches:
- "main"
jobs:
ci:
name: CI
uses: molssi-seamm/devops/.github/workflows/CI.yaml@main
with:
src : seamm_ase