| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-wignerc.c | 433 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in wignerc_fourth() local
610 d4fdrbrbrbgb = 0.0; in wignerc_fourth()
740 ds->df0301 += factor*d4fdrbrbrbgb; in wignerc_fourth()
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| H A D | fun-b86.c | 426 real d4fdrbrbrbga , d4fdrbrbrbgb , d4fdrbrbrbab , d4fdrbrbgaga ; in becke86_fourth() local
603 …d4fdrbrbrbgb = -.07719917220081424*gradb*t[13]*t[14]*t[43]+0.151889371305102*gradb*t[11]*t[43]+.00… in becke86_fourth()
728 ds->df0301 += factor*d4fdrbrbrbgb; in becke86_fourth()
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| H A D | fun-pbex.c | 395 real d4fdrbrbrbga , d4fdrbrbrbgb , d4fdrbrbrbab , d4fdrbrbgaga ; in pbex_fourth() local
561 …d4fdrbrbrbgb = 0.5*(-2.2021996223375453E-7*t[1]*t[56]*pow(gradb,7.0)/pow(rhob,12.33333333333333)+0… in pbex_fourth()
686 ds->df0301 += factor*d4fdrbrbrbgb; in pbex_fourth()
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| H A D | fun-wl90c.c | 521 real d4fdrbrbrbga , d4fdrbrbrbgb , d4fdrbrbrbab , d4fdrbrbgaga ; in wl90c_fourth() local
929 …d4fdrbrbrbgb = 0.02250375*gradb*t[29]*t[12]*t[77]*t[144]*t[23]+0.0150025*gradb*t[29]*t[7]*t[41]*t[… in wl90c_fourth()
1054 ds->df0301 += factor*d4fdrbrbrbgb; in wl90c_fourth()
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| H A D | fun-pw92ac.c | 1163 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in pw92ac_fourth() local
2715 d4fdrbrbrbgb = 0.004235*t1*(-0.458*t2*t3*t7*(-12.0*t44* in pw92ac_fourth()
2905 ds->df0301 += factor*d4fdrbrbrbgb; in pw92ac_fourth()
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| H A D | fun-b97-k.c | 2304 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_k_fourth() local
4875 d4fdrbrbrbgb = 3.0*t133*t151*t155*t156*t541*rhob-192.9880990672242* in b97_k_fourth()
5138 ds->df0301 += factor*d4fdrbrbrbgb; in b97_k_fourth()
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| H A D | fun-b97.c | 2306 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_fourth() local
4877 d4fdrbrbrbgb = 3.0*t133*t151*t155*t156*t541*rhob-192.9880990672242* in b97_fourth()
5139 ds->df0301 += factor*d4fdrbrbrbgb; in b97_fourth()
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| H A D | fun-b97-d.c | 2340 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_d_fourth() local
4971 d4fdrbrbrbgb = -192.9880990672242*t289*t181*t508*t136* in b97_d_fourth()
5236 ds->df0301 += factor*d4fdrbrbrbgb; in b97_d_fourth()
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| H A D | fun-b97-2.c | 2311 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_2_fourth() local
4886 d4fdrbrbrbgb = 3.0*t133*t151*t155*t156*t541*rhob-192.9880990672242* in b97_2_fourth()
5147 ds->df0301 += factor*d4fdrbrbrbgb; in b97_2_fourth()
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| H A D | fun-b97-1.c | 2316 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_1_fourth() local
4894 d4fdrbrbrbgb = 3.0*t133*t151*t155*t156*t541*rhob-192.9880990672242* in b97_1_fourth()
5157 ds->df0301 += factor*d4fdrbrbrbgb; in b97_1_fourth()
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| H A D | fun-1-4.c | 2667 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in f14_fourth() local
5614 d4fdrbrbrbgb = -192.9880990672242*t321*t209*t544*t150* in f14_fourth()
5944 ds->df0301 += factor*d4fdrbrbrbgb; in f14_fourth()
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| H A D | fun-hcth120.c | 2613 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth120_fourth() local
5478 d4fdrbrbrbgb = 3.0* in hcth120_fourth()
5798 ds->df0301 += factor*d4fdrbrbrbgb; in hcth120_fourth()
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| H A D | fun-hcth407.c | 2613 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth407_fourth() local
5478 d4fdrbrbrbgb = 3.0*t147*t175*t179*t180*t577*rhob-192.9880990672242* in hcth407_fourth()
5800 ds->df0301 += factor*d4fdrbrbrbgb; in hcth407_fourth()
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| H A D | fun-hcth407p.c | 2610 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth407p_fourth() local
5475 d4fdrbrbrbgb = 3.0*t147*t175*t179*t180*t577*rhob-192.9880990672242* in hcth407p_fourth()
5796 ds->df0301 += factor*d4fdrbrbrbgb; in hcth407p_fourth()
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| H A D | fun-hcth93.c | 2625 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth93_fourth() local
5504 d4fdrbrbrbgb = 3.0*t147*t175*t179*t180*t577*rhob-192.9880990672242* in hcth93_fourth()
5830 ds->df0301 += factor*d4fdrbrbrbgb; in hcth93_fourth()
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| H A D | fun-hcth147.c | 2609 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth147_fourth() local
5475 d4fdrbrbrbgb = 3.0*t147*t175*t179*t180*t577*rhob-192.9880990672242* in hcth147_fourth()
5796 ds->df0301 += factor*d4fdrbrbrbgb; in hcth147_fourth()
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| H A D | fun-hcth93m.c | 2611 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth93m_fourth() local
5484 d4fdrbrbrbgb = 3.0*t147*t175*t179*t180*t577*rhob-192.9880990672242* in hcth93m_fourth()
5808 ds->df0301 += factor*d4fdrbrbrbgb; in hcth93m_fourth()
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| H A D | fun-b97-3.c | 3376 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_3_fourth() local
7458 d4fdrbrbrbgb = -192.9880990672242*t321*t209*t544*t150* in b97_3_fourth()
8154 ds->df0301 += factor*d4fdrbrbrbgb; in b97_3_fourth()
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