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Support for Hirshfeld constraints #2

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nholmber opened this issue Oct 5, 2018 · 0 comments
Open

Support for Hirshfeld constraints #2

nholmber opened this issue Oct 5, 2018 · 0 comments

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@nholmber
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nholmber commented Oct 5, 2018

CDFT simulations now support Hirshfeld constraints in addition to Becke constraints. However, forces still need to be implemented to enable molecular dynamics simulations.
nholmber added a commit that referenced this issue Oct 5, 2018
@nholmber
Remove routine old routine for Hirshfeld forces. The routine needs a …
7603957 
…complete rewrite and it wasn't correctly implemented to start with. #2
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