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Julien Steffen edited this page May 3, 2023
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Determines which kind of reference data shall be used for the DG-EVB coupling term.
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1
: only energies -
2
: energies and gradients -
3
: energies, gradients and Hessians
Depending on the choice, the appropriate amount of reference data needs to be present in the grad_hess.dat
file (see points_ref).
Part of the dg_evb
sections in evbopt
and all application programs.
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