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Searched refs:d3fdragaab (Results 1 – 21 of 21) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-wignerc.c244 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in wignerc_third() local
325 d3fdragaab = 0.0; in wignerc_third()
385 ds->df10101 += factor*d3fdragaab; in wignerc_third()
421 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in wignerc_fourth() local
531 d3fdragaab = 0.0; in wignerc_fourth()
678 ds->df10101 += factor*d3fdragaab; in wignerc_fourth()
H A Dfun-b86.c226 real d3fdrarbab , d3fdragaga , d3fdragagb , d3fdragaab ; in becke86_third() local
318 d3fdragaab = 0.0; in becke86_third()
373 ds->df10101+= factor*d3fdragaab; in becke86_third()
410 real d3fdrarbab , d3fdragaga , d3fdragagb , d3fdragaab ; in becke86_fourth() local
542 d3fdragaab = 0.0; in becke86_fourth()
667 ds->df10101 += factor*d3fdragaab; in becke86_fourth()
H A Dfun-pbex.c207 real d3fdrarbab , d3fdragaga , d3fdragagb , d3fdragaab ; in pbex_third() local
287 d3fdragaab = 0.0; in pbex_third()
342 ds->df10101+= factor*d3fdragaab; in pbex_third()
379 real d3fdrarbab , d3fdragaga , d3fdragagb , d3fdragaab ; in pbex_fourth() local
500 d3fdragaab = 0.0; in pbex_fourth()
625 ds->df10101 += factor*d3fdragaab; in pbex_fourth()
H A Dfun-pw91nc.c612 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in pw91nc_third() local
1258 d3fdragaab = t209; in pw91nc_third()
1418 ds->df10101 += factor*d3fdragaab; in pw91nc_third()
H A Dfun-wl90c.c263 real d3fdrarbab , d3fdragaga , d3fdragagb , d3fdragaab ; in wl90c_third() local
412 …d3fdragaab = t[96]-0.030005*grada*t[60]*t[12]*t[19]*t[22]*t[23]+.07201199999999999*t[29]*t[6]*t[12… in wl90c_third()
467 ds->df10101+= factor*d3fdragaab; in wl90c_third()
505 real d3fdrarbab , d3fdragaga , d3fdragagb , d3fdragaab ; in wl90c_fourth() local
868 d3fdragaab = t[127]+t[126]+t[125]+t[124]+t[123]+t[122]+t[121]; in wl90c_fourth()
993 ds->df10101 += factor*d3fdragaab; in wl90c_fourth()
H A Dfun-pw92ac.c478 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in pw92ac_third() local
993 d3fdragaab = 0.0; in pw92ac_third()
1115 ds->df10101 += factor*d3fdragaab; in pw92ac_third()
1151 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in pw92ac_fourth() local
1935 d3fdragaab = 0.0; in pw92ac_fourth()
2843 ds->df10101 += factor*d3fdragaab; in pw92ac_fourth()
H A Dfun-b97-k.c1054 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_k_third() local
2059 d3fdragaab = 0.0; in b97_k_third()
2256 ds->df10101 += factor*d3fdragaab; in b97_k_third()
2292 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_k_fourth() local
3867 d3fdragaab = 0.0; in b97_k_fourth()
5076 ds->df10101 += factor*d3fdragaab; in b97_k_fourth()
H A Dfun-b97.c1055 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_third() local
2061 d3fdragaab = 0.0; in b97_third()
2258 ds->df10101 += factor*d3fdragaab; in b97_third()
2294 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_fourth() local
3868 d3fdragaab = 0.0; in b97_fourth()
5077 ds->df10101 += factor*d3fdragaab; in b97_fourth()
H A Dfun-b97-d.c1057 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_d_third() local
2094 d3fdragaab = 0.0; in b97_d_third()
2292 ds->df10101 += factor*d3fdragaab; in b97_d_third()
2328 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_d_fourth() local
3957 d3fdragaab = 0.0; in b97_d_fourth()
5174 ds->df10101 += factor*d3fdragaab; in b97_d_fourth()
H A Dfun-b97-2.c1055 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_2_third() local
2064 d3fdragaab = 0.0; in b97_2_third()
2263 ds->df10101 += factor*d3fdragaab; in b97_2_third()
2299 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_2_fourth() local
3876 d3fdragaab = 0.0; in b97_2_fourth()
5085 ds->df10101 += factor*d3fdragaab; in b97_2_fourth()
H A Dfun-b97-1.c1057 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_1_third() local
2068 d3fdragaab = 0.0; in b97_1_third()
2268 ds->df10101 += factor*d3fdragaab; in b97_1_third()
2304 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_1_fourth() local
3883 d3fdragaab = 0.0; in b97_1_fourth()
5095 ds->df10101 += factor*d3fdragaab; in b97_1_fourth()
H A Dfun-1-4.c1208 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in f14_third() local
2375 d3fdragaab = 0.0; in f14_third()
2619 ds->df10101 += factor*d3fdragaab; in f14_third()
2655 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in f14_fourth() local
4465 d3fdragaab = 0.0; in f14_fourth()
5882 ds->df10101 += factor*d3fdragaab; in f14_fourth()
H A Dfun-hcth120.c1196 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth120_third() local
2328 d3fdragaab = 0.0; in hcth120_third()
2565 ds->df10101 += factor*d3fdragaab; in hcth120_third()
2601 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth120_fourth() local
4351 d3fdragaab = 0.0; in hcth120_fourth()
5736 ds->df10101 += factor*d3fdragaab; in hcth120_fourth()
H A Dfun-hcth407.c1196 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth407_third() local
2328 d3fdragaab = 0.0; in hcth407_third()
2565 ds->df10101 += factor*d3fdragaab; in hcth407_third()
2601 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth407_fourth() local
4349 d3fdragaab = 0.0; in hcth407_fourth()
5738 ds->df10101 += factor*d3fdragaab; in hcth407_fourth()
H A Dfun-hcth407p.c1200 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth407p_third() local
2328 d3fdragaab = 0.0; in hcth407p_third()
2562 ds->df10101 += factor*d3fdragaab; in hcth407p_third()
2598 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth407p_fourth() local
4344 d3fdragaab = 0.0; in hcth407p_fourth()
5734 ds->df10101 += factor*d3fdragaab; in hcth407p_fourth()
H A Dfun-hcth93.c1202 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth93_third() local
2336 d3fdragaab = 0.0; in hcth93_third()
2577 ds->df10101 += factor*d3fdragaab; in hcth93_third()
2613 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth93_fourth() local
4367 d3fdragaab = 0.0; in hcth93_fourth()
5768 ds->df10101 += factor*d3fdragaab; in hcth93_fourth()
H A Dfun-hcth147.c1193 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth147_third() local
2326 d3fdragaab = 0.0; in hcth147_third()
2561 ds->df10101 += factor*d3fdragaab; in hcth147_third()
2597 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth147_fourth() local
4346 d3fdragaab = 0.0; in hcth147_fourth()
5734 ds->df10101 += factor*d3fdragaab; in hcth147_fourth()
H A Dfun-hcth93m.c1196 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth93m_third() local
2326 d3fdragaab = 0.0; in hcth93m_third()
2563 ds->df10101 += factor*d3fdragaab; in hcth93m_third()
2599 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in hcth93m_fourth() local
4349 d3fdragaab = 0.0; in hcth93m_fourth()
5746 ds->df10101 += factor*d3fdragaab; in hcth93m_fourth()
H A Dfun-b97-3.c1400 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_3_third() local
2878 d3fdragaab = 0.0; in b97_3_third()
3328 ds->df10101 += factor*d3fdragaab; in b97_3_third()
3364 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in b97_3_fourth() local
5693 d3fdragaab = 0.0; in b97_3_fourth()
8092 ds->df10101 += factor*d3fdragaab; in b97_3_fourth()
H A Dfun-pw92c.c1236 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in pw92c_third() local
3499 d3fdragaab = t4*(0.003188484444444*t109*t14*t17*t35*(2.656434474616293* in pw92c_third()
4151 ds->df10101 += factor*d3fdragaab; in pw92c_third()
/dports/science/ergo/ergo-3.8/source/dft/
H A Dfun-pw92c.c1232 d3fdragagb, d3fdragaab, d3fdragbgb, d3fdragbab, d3fdraabab, in pw92c_third() local
3495 d3fdragaab = t4*(0.003188484444444*t109*t14*t17*t35*(2.656434474616293* in pw92c_third()
4147 ds->df10101 += factor*d3fdragaab; in pw92c_third()