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MOPAC Support#16

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mabounassif wants to merge 2 commits intousnistgov:masterfrom
mabounassif:mopac
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MOPAC Support#16
mabounassif wants to merge 2 commits intousnistgov:masterfrom
mabounassif:mopac

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@mabounassif
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This is a draft PR to support MOPAC

@mabounassif
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@ianhbell feel free to share early feedback.
2 things I need help with:

  1. I am unsure about the atomic data coordinate units - if you can spot it easily please let me know.
  2. Working my way through the dispersion energy bit - if you foresee any issues please share.

@ianhbell
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Can you please contact the MOPAC folks to get clarification on length units?

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2 participants