| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-wignerc.c | 436 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in wignerc_fourth() local
625 d4fdrbgbgbab = 0.0; in wignerc_fourth()
755 ds->df01021 += factor*d4fdrbgbgbab; in wignerc_fourth()
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| H A D | fun-b86.c | 430 real d4fdrbgbgbab , d4fdrbgbabab , d4fdrbababab , d4fdgagagaga ; in becke86_fourth() local
618 d4fdrbgbgbab = 0.0; in becke86_fourth()
743 ds->df01021 += factor*d4fdrbgbgbab; in becke86_fourth()
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| H A D | fun-pbex.c | 399 real d4fdrbgbgbab , d4fdrbgbabab , d4fdrbababab , d4fdgagagaga ; in pbex_fourth() local
576 d4fdrbgbgbab = 0.0; in pbex_fourth()
701 ds->df01021 += factor*d4fdrbgbgbab; in pbex_fourth()
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| H A D | fun-wl90c.c | 525 real d4fdrbgbgbab , d4fdrbgbabab , d4fdrbababab , d4fdgagagaga ; in wl90c_fourth() local
944 …d4fdrbgbgbab = t[139]+t[289]+t[163]+0.090015*t[16]*t[166]*t[12]*t[19]*t[28]*t[23]-0.144024*gradb*t… in wl90c_fourth()
1069 ds->df01021 += factor*d4fdrbgbgbab; in wl90c_fourth()
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| H A D | fun-pw92ac.c | 1166 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in pw92ac_fourth() local
2790 d4fdrbgbgbab = 0.0; in pw92ac_fourth()
2920 ds->df01021 += factor*d4fdrbgbgbab; in pw92ac_fourth()
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| H A D | fun-b97-k.c | 2307 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in b97_k_fourth() local
4987 d4fdrbgbgbab = 0.0; in b97_k_fourth()
5153 ds->df01021 += factor*d4fdrbgbgbab; in b97_k_fourth()
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| H A D | fun-b97.c | 2309 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in b97_fourth() local
4988 d4fdrbgbgbab = 0.0; in b97_fourth()
5154 ds->df01021 += factor*d4fdrbgbgbab; in b97_fourth()
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| H A D | fun-b97-d.c | 2343 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in b97_d_fourth() local
5083 d4fdrbgbgbab = 0.0; in b97_d_fourth()
5251 ds->df01021 += factor*d4fdrbgbgbab; in b97_d_fourth()
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| H A D | fun-b97-2.c | 2314 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in b97_2_fourth() local
4997 d4fdrbgbgbab = 0.0; in b97_2_fourth()
5162 ds->df01021 += factor*d4fdrbgbgbab; in b97_2_fourth()
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| H A D | fun-b97-1.c | 2319 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in b97_1_fourth() local
5005 d4fdrbgbgbab = 0.0; in b97_1_fourth()
5172 ds->df01021 += factor*d4fdrbgbgbab; in b97_1_fourth()
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| H A D | fun-1-4.c | 2670 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in f14_fourth() local
5770 d4fdrbgbgbab = 0.0; in f14_fourth()
5959 ds->df01021 += factor*d4fdrbgbgbab; in f14_fourth()
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| H A D | fun-hcth120.c | 2616 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in hcth120_fourth() local
5628 d4fdrbgbgbab = 0.0; in hcth120_fourth()
5813 ds->df01021 += factor*d4fdrbgbgbab; in hcth120_fourth()
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| H A D | fun-hcth407.c | 2616 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in hcth407_fourth() local
5630 d4fdrbgbgbab = 0.0; in hcth407_fourth()
5815 ds->df01021 += factor*d4fdrbgbgbab; in hcth407_fourth()
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| H A D | fun-hcth407p.c | 2613 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in hcth407p_fourth() local
5626 d4fdrbgbgbab = 0.0; in hcth407p_fourth()
5811 ds->df01021 += factor*d4fdrbgbgbab; in hcth407p_fourth()
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| H A D | fun-hcth93.c | 2628 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in hcth93_fourth() local
5659 d4fdrbgbgbab = 0.0; in hcth93_fourth()
5845 ds->df01021 += factor*d4fdrbgbgbab; in hcth93_fourth()
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| H A D | fun-hcth147.c | 2612 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in hcth147_fourth() local
5626 d4fdrbgbgbab = 0.0; in hcth147_fourth()
5811 ds->df01021 += factor*d4fdrbgbgbab; in hcth147_fourth()
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| H A D | fun-hcth93m.c | 2614 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in hcth93m_fourth() local
5637 d4fdrbgbgbab = 0.0; in hcth93m_fourth()
5823 ds->df01021 += factor*d4fdrbgbgbab; in hcth93m_fourth()
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| H A D | fun-b97-3.c | 3379 d4fdrbgagbab, d4fdrbgaabab, d4fdrbgbgbgb, d4fdrbgbgbab, d4fdrbgbabab, in b97_3_fourth() local
7849 d4fdrbgbgbab = 0.0; in b97_3_fourth()
8169 ds->df01021 += factor*d4fdrbgbgbab; in b97_3_fourth()
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