LSCSGRAD

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Revision as of 14:38, 6 April 2022 by Ftran (talk | contribs)

LSCSGRAD = .TRUE. | .FALSE.
Default: LSCSGRAD = .TRUE. 

Description: LSCSGRAD  decides whether to compute gradients in the calculation of the MBD dispersion energy or the SCS contribution.


Related Tags and Sections

IVDW, Many-body dispersion energy, LVDWEXPANSION

Examples that use this tag