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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dprop-eval.c615 real gvxca = 2.0*drvs.df1000*grid->atv[j]; in kohn_shamab_cb() local
619 exc->ksma[i+joff] += gvxca*grid->atv[i]; in kohn_shamab_cb()
620 exc->ksma[j+joff] += 0.5*gvxca*grid->atv[j]; in kohn_shamab_cb()