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Searched refs:d4fdrarbgbgb (Results 1 – 18 of 18) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-wignerc.c430 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in wignerc_fourth() local
593 d4fdrarbgbgb = 0.0; in wignerc_fourth()
725 ds->df1102 += factor*d4fdrarbgbgb; in wignerc_fourth()
H A Dfun-b86.c422 real d4fdrarbgagb , d4fdrarbgaab , d4fdrarbgbgb , d4fdrarbgbab ; in becke86_fourth() local
588 d4fdrarbgbgb = 0.0; in becke86_fourth()
713 ds->df1102 += factor*d4fdrarbgbgb; in becke86_fourth()
H A Dfun-pbex.c391 real d4fdrarbgagb , d4fdrarbgaab , d4fdrarbgbgb , d4fdrarbgbab ; in pbex_fourth() local
546 d4fdrarbgbgb = 0.0; in pbex_fourth()
671 ds->df1102 += factor*d4fdrarbgbgb; in pbex_fourth()
H A Dfun-wl90c.c517 real d4fdrarbgagb , d4fdrarbgaab , d4fdrarbgbgb , d4fdrarbgbab ; in wl90c_fourth() local
914 …d4fdrarbgbgb = t[99]+t[250]+t[112]-0.030005*t[16]*t[60]*t[12]*t[44]*t[19]*t[23]+t[111]+.0100016666… in wl90c_fourth()
1039 ds->df1102 += factor*d4fdrarbgbgb; in wl90c_fourth()
H A Dfun-pw92ac.c1160 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in pw92ac_fourth() local
2619 d4fdrarbgbgb = 0.004235*t1*(2.0*t3*t34*t6*t87+t29*t30* in pw92ac_fourth()
2890 ds->df1102 += factor*d4fdrarbgbgb; in pw92ac_fourth()
H A Dfun-b97-k.c2301 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in b97_k_fourth() local
4664 d4fdrarbgbgb = (0.00324373248*t21*t38*t53*t149-4.923495935999999E-5* in b97_k_fourth()
5123 ds->df1102 += factor*d4fdrarbgbgb; in b97_k_fourth()
H A Dfun-b97.c2303 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in b97_fourth() local
4666 d4fdrarbgbgb = (-0.0013678592*t21*t38*t53*t149+2.9385984e-5* in b97_fourth()
5124 ds->df1102 += factor*d4fdrarbgbgb; in b97_fourth()
H A Dfun-b97-d.c2337 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in b97_d_fourth() local
4758 d4fdrarbgbgb = (-0.0054461184*t22*t39*t55*t152+1.01664E-4* in b97_d_fourth()
5221 ds->df1102 += factor*d4fdrarbgbgb; in b97_d_fourth()
H A Dfun-b97-2.c2308 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in b97_2_fourth() local
4674 d4fdrarbgbgb = (-0.00226479616*t21*t38*t53*t149+4.787506176e-5* in b97_2_fourth()
5132 ds->df1102 += factor*d4fdrarbgbgb; in b97_2_fourth()
H A Dfun-b97-1.c2313 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in b97_1_fourth() local
4682 d4fdrarbgbgb = (-0.001604413952*t21*t38*t53*t149+3.487228723200001e-5* in b97_1_fourth()
5142 ds->df1102 += factor*d4fdrarbgbgb; in b97_1_fourth()
H A Dfun-1-4.c2664 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in f14_fourth() local
5362 d4fdrarbgbgb = (-.004638095359999999*t22*t49*t69*t176+ in f14_fourth()
5929 ds->df1102 += factor*d4fdrarbgbgb; in f14_fourth()
H A Dfun-hcth120.c2610 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in hcth120_fourth() local
5233 d4fdrarbgbgb = (-0.0080990208*t21*t48*t67*t173+2.689348608e-4* in hcth120_fourth()
5783 ds->df1102 += factor*d4fdrarbgbgb; in hcth120_fourth()
H A Dfun-hcth407.c2610 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in hcth407_fourth() local
5232 d4fdrarbgbgb = (-0.0060532992*t21*t48*t67*t173+3.210665472e-4* in hcth407_fourth()
5785 ds->df1102 += factor*d4fdrarbgbgb; in hcth407_fourth()
H A Dfun-hcth407p.c2607 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in hcth407p_fourth() local
5228 d4fdrarbgbgb = (-0.003354112*t21*t48*t67*t173+1.6152575999999998E-4* in hcth407p_fourth()
5781 ds->df1102 += factor*d4fdrarbgbgb; in hcth407p_fourth()
H A Dfun-hcth93.c2622 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in hcth93_fourth() local
5255 d4fdrarbgbgb = (-0.00381334272*t21*t48*t67*t173+1.1332882944e-4* in hcth93_fourth()
5815 ds->df1102 += factor*d4fdrarbgbgb; in hcth93_fourth()
H A Dfun-hcth147.c2606 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in hcth147_fourth() local
5229 d4fdrarbgbgb = (-0.0090615296*t21*t48*t67*t173+3.465854976e-4* in hcth147_fourth()
5781 ds->df1102 += factor*d4fdrarbgbgb; in hcth147_fourth()
H A Dfun-hcth93m.c2608 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in hcth93m_fourth() local
5235 d4fdrarbgbgb = (-0.00476240896*t21*t48*t67*t173+1.6958939136E-4* in hcth93m_fourth()
5793 ds->df1102 += factor*d4fdrarbgbgb; in hcth93m_fourth()
H A Dfun-b97-3.c3373 d4fdrarbgaga, d4fdrarbgagb, d4fdrarbgaab, d4fdrarbgbgb, d4fdrarbgbab, in b97_3_fourth() local
7021 d4fdrarbgbgb = (2.5599999999999999E-4*ccab[2]*t22*t49* in b97_3_fourth()
8139 ds->df1102 += factor*d4fdrarbgbgb; in b97_3_fourth()