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Searched refs:d4fdragagbgb (Results 1 – 18 of 18) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-wignerc.c431 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in wignerc_fourth() local
599 d4fdragagbgb = 0.0; in wignerc_fourth()
731 ds->df1012 += factor*d4fdragagbgb; in wignerc_fourth()
H A Dfun-b86.c424 real d4fdragagbgb , d4fdragagbab , d4fdragaabab , d4fdragbgbgb ; in becke86_fourth() local
594 d4fdragagbgb = 0.0; in becke86_fourth()
719 ds->df1012 += factor*d4fdragagbgb; in becke86_fourth()
H A Dfun-pbex.c393 real d4fdragagbgb , d4fdragagbab , d4fdragaabab , d4fdragbgbgb ; in pbex_fourth() local
552 d4fdragagbgb = 0.0; in pbex_fourth()
677 ds->df1012 += factor*d4fdragagbgb; in pbex_fourth()
H A Dfun-wl90c.c519 real d4fdragagbgb , d4fdragagbab , d4fdragaabab , d4fdragbgbgb ; in wl90c_fourth() local
920 …d4fdragagbgb = t[127]+t[274]+t[126]+0.090015*grada*t[16]*t[166]*t[12]*t[19]*t[22]*t[23]+t[125]-.07… in wl90c_fourth()
1045 ds->df1012 += factor*d4fdragagbgb; in wl90c_fourth()
H A Dfun-pw92ac.c1161 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in pw92ac_fourth() local
2639 d4fdragagbgb = 0.0; in pw92ac_fourth()
2896 ds->df1012 += factor*d4fdragagbgb; in pw92ac_fourth()
H A Dfun-b97-k.c2302 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in b97_k_fourth() local
4694 d4fdragagbgb = (-0.00243279936*grada*t38*t53*t49+3.692621952E-5* in b97_k_fourth()
5129 ds->df1012 += factor*d4fdragagbgb; in b97_k_fourth()
H A Dfun-b97.c2304 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in b97_fourth() local
4696 d4fdragagbgb = (0.0010258944*grada*t38*t53*t49-2.2039488e-5* in b97_fourth()
5130 ds->df1012 += factor*d4fdragagbgb; in b97_fourth()
H A Dfun-b97-d.c2338 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in b97_d_fourth() local
4788 d4fdragagbgb = (0.0040845888*grada*t39*t55*t51-7.6248E-5* in b97_d_fourth()
5227 ds->df1012 += factor*d4fdragagbgb; in b97_d_fourth()
H A Dfun-b97-2.c2309 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in b97_2_fourth() local
4704 d4fdragagbgb = (0.00169859712*grada*t38*t53*t49-3.590629632e-5* in b97_2_fourth()
5138 ds->df1012 += factor*d4fdragagbgb; in b97_2_fourth()
H A Dfun-b97-1.c2314 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in b97_1_fourth() local
4713 d4fdragagbgb = (0.001203310464*grada*t38*t53*t49-2.6154215424e-5* in b97_1_fourth()
5148 ds->df1012 += factor*d4fdragagbgb; in b97_1_fourth()
H A Dfun-1-4.c2665 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in f14_fourth() local
5409 d4fdragagbgb = (.003478571519999999*grada*t49*t69*t61- in f14_fourth()
5935 ds->df1012 += factor*d4fdragagbgb; in f14_fourth()
H A Dfun-hcth120.c2611 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in hcth120_fourth() local
5276 d4fdragagbgb = (0.0060742656*grada*t48*t67*t59-2.017011456e-4* in hcth120_fourth()
5789 ds->df1012 += factor*d4fdragagbgb; in hcth120_fourth()
H A Dfun-hcth407.c2611 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in hcth407_fourth() local
5275 d4fdragagbgb = (0.0045399744*grada*t48*t67*t59-2.407999104e-4* in hcth407_fourth()
5791 ds->df1012 += factor*d4fdragagbgb; in hcth407_fourth()
H A Dfun-hcth407p.c2608 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in hcth407p_fourth() local
5272 d4fdragagbgb = (0.002515584*grada*t48*t67*t59-1.2114432E-4* in hcth407p_fourth()
5787 ds->df1012 += factor*d4fdragagbgb; in hcth407p_fourth()
H A Dfun-hcth93.c2623 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in hcth93_fourth() local
5299 d4fdragagbgb = (0.00286000704*grada*t48*t67*t59-8.499662207999998e-5* in hcth93_fourth()
5821 ds->df1012 += factor*d4fdragagbgb; in hcth93_fourth()
H A Dfun-hcth147.c2607 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in hcth147_fourth() local
5272 d4fdragagbgb = (0.0067961472*grada*t48*t67*t59-2.599391232e-4* in hcth147_fourth()
5787 ds->df1012 += factor*d4fdragagbgb; in hcth147_fourth()
H A Dfun-hcth93m.c2609 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in hcth93m_fourth() local
5280 d4fdragagbgb = (0.00357180672*grada*t48*t67*t59-1.2719204352E-4* in hcth93m_fourth()
5799 ds->df1012 += factor*d4fdragagbgb; in hcth93m_fourth()
H A Dfun-b97-3.c3374 d4fdrarbabab, d4fdragagaga, d4fdragagagb, d4fdragagaab, d4fdragagbgb, in b97_3_fourth() local
7145 d4fdragagbgb = (-1.92E-4*ccab[2]*grada*t49*t69*t61+1.92E-4* in b97_3_fourth()
8145 ds->df1012 += factor*d4fdragagbgb; in b97_3_fourth()