Add additional calculators to AutoTST
@ndharms is already working on this.
Since Mar 28, 2019.
Assessment
This issue has not been assessed yet.
Description
Due to lack of Gaussian on all computing clusters, we are hoping to add additional calculators to AutoTST:
- NWChem
- MolPro
Any additional suggestions?
- Dominant language
- Python
- Stars
- 51
- Forks
- 19
- PR merge metrics
- No merged PRs in 30d
Contributor guide
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First steps
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- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
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