LSCSGRAD: Difference between revisions
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Revision as of 10:41, 7 February 2018
LSCSGRAD = .TRUE. | .FALSE.
Default: LSCSGRAD = .FALSE.
Description: LSCSGRAD decides whether to compute gradients in the calculation of the MBD dispersion energy.
Related Tags and Sections
IVDW, Many-body dispersion energy, LVDWEXPANSION