Comments (3)
nwoodweb
commented on August 24, 2024
Hi @PaulWAyers
I am currently working on this issue
While I do have a functioning load_one at this moment, I am working to see how I can go about parsing charges from the atom block
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FarnazH
commented on August 24, 2024
@nwoodweb thanks for working on this issue. Please follow our contributing guidelines https://iodata.readthedocs.io/en/latest/contributing.html in preparing your PR.
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nwoodweb
commented on August 24, 2024
I wanted to inform you that I had passed the Roberto CI check and I will be making a pull request.
While I have implemented an iodata/formats/mol.py file, I have not implemented a test file that other format files had according to Roberto and I was wanting to know if I should also implement this.
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