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Decouple CAT from Database and Ligand Dissociation #2

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BvB93 opened this issue Jun 27, 2019 · 1 comment

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BvB93 commented Jun 27, 2019

See nlesc-nano/CAT#39.

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BvB93 commented Jul 12, 2019

Implemented; see nlesc-nano/CAT#42.

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Ligand dissociation: CP2K forcefield construction #14

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