working with flat coordinates

Rafael-G-C / pyDFTD3

Python version of Grimme's D3-dispersion correction for Gaussian input/output

http://www.patonlab.com

MIT License

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Closed Rafael-G-C closed 3 years ago

Rafael-G-C commented 3 years ago

I changed the files to give and use flat coordinates (array of 3*N size)

Rafael-G-C commented 3 years ago

did not see those, let me commit them right now