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Searched refs:d2fdgbgab (Results 1 – 24 of 24) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-wignerc.c162 d2fdgbgb, d2fdgbgab, d2fdgabgab; in wignerc_second() local
207 d2fdgbgab = 0.0; in wignerc_second()
230 ds->df00011+= factor*d2fdgbgab; in wignerc_second()
241 d2fdgbgb, d2fdgbgab, d2fdgabgab; in wignerc_third() local
305 d2fdgbgab = 0.0; in wignerc_third()
371 ds->df00011+= factor*d2fdgbgab; in wignerc_third()
418 d2fdgbgb, d2fdgbgab, d2fdgabgab; in wignerc_fourth() local
511 d2fdgbgab = 0.0; in wignerc_fourth()
664 ds->df00011+= factor*d2fdgbgab; in wignerc_fourth()
H A Dfun-pw91nc.c305 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw91nc_second() local
564 d2fdgbgab = t4*(833.3333333333334*t104*t20*t25*t3*t35* in pw91nc_second()
598 ds->df00011+= factor*d2fdgbgab; in pw91nc_second()
609 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw91nc_third() local
1245 d2fdgbgab = t4*(t181+t177+t176+t175); in pw91nc_third()
1404 ds->df00011+= factor*d2fdgbgab; in pw91nc_third()
H A Dfun-p86c.c248 d2fdragab,d2fdrbgab, d2fdgagb, d2fdgagab, d2fdgbgab, d2fdgabgab; in p86c_second() local
458 d2fdgbgab = 4.514119337620827E-7*t1*t22*gradb*t105*t13* in p86c_second()
483 ds->df00011+= factor*d2fdgbgab; in p86c_second()
493 d2fdragab,d2fdrbgab, d2fdgagb, d2fdgagab, d2fdgbgab, d2fdgabgab; in p86c_third() local
956 d2fdgbgab = t141+t140; in p86c_third()
H A Dfun-pw91c.c312 d2fdragab,d2fdrbgab, d2fdgagb, d2fdgagab, d2fdgbgab, d2fdgabgab; in pw91c_second() local
580 d2fdgbgab = t4*(833.3333333333334*t108*t20*t25*t3*t48* in pw91c_second()
614 ds->df00011+= factor*d2fdgbgab; in pw91c_second()
624 d2fdragab,d2fdrbgab, d2fdgagb, d2fdgagab, d2fdgbgab, d2fdgabgab; in pw91c_third() local
1196 d2fdgbgab = t4*(0.02550787555556*t7*t10*t58*(t175+t174- in pw91c_third()
H A Dfun-pbec.c442 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pbec_second() local
1114 d2fdgbgab = .0040078715083799*t8*t11*t50*t32*t111*(.7443685075970145* in pbec_second()
1146 ds->df00011+= factor*d2fdgbgab; in pbec_second()
H A Dfun-pw92ac.c235 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw92ac_second() local
441 d2fdgbgab = 0.0; in pw92ac_second()
464 ds->df00011+= factor*d2fdgbgab; in pw92ac_second()
475 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw92ac_third() local
800 d2fdgbgab = 0.0; in pw92ac_third()
1101 ds->df00011+= factor*d2fdgbgab; in pw92ac_third()
1148 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw92ac_fourth() local
1919 d2fdgbgab = 0.0; in pw92ac_fourth()
2829 ds->df00011+= factor*d2fdgbgab; in pw92ac_fourth()
H A Dfun-b97-k.c505 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_k_second() local
1017 d2fdgbgab = 0.0; in b97_k_second()
1040 ds->df00011+= factor*d2fdgbgab; in b97_k_second()
1051 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_k_third() local
1839 d2fdgbgab = 0.0; in b97_k_third()
2242 ds->df00011+= factor*d2fdgbgab; in b97_k_third()
2289 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_k_fourth() local
3825 d2fdgbgab = 0.0; in b97_k_fourth()
5062 ds->df00011+= factor*d2fdgbgab; in b97_k_fourth()
H A Dfun-b97.c505 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_second() local
1018 d2fdgbgab = 0.0; in b97_second()
1041 ds->df00011+= factor*d2fdgbgab; in b97_second()
1052 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_third() local
1842 d2fdgbgab = 0.0; in b97_third()
2244 ds->df00011+= factor*d2fdgbgab; in b97_third()
2291 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_fourth() local
3826 d2fdgbgab = 0.0; in b97_fourth()
5063 ds->df00011+= factor*d2fdgbgab; in b97_fourth()
H A Dfun-b97-d.c501 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_d_second() local
1020 d2fdgbgab = 0.0; in b97_d_second()
1043 ds->df00011+= factor*d2fdgbgab; in b97_d_second()
1054 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_d_third() local
1869 d2fdgbgab = 0.0; in b97_d_third()
2278 ds->df00011+= factor*d2fdgbgab; in b97_d_third()
2325 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_d_fourth() local
3914 d2fdgbgab = 0.0; in b97_d_fourth()
5160 ds->df00011+= factor*d2fdgbgab; in b97_d_fourth()
H A Dfun-b97-2.c506 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_2_second() local
1018 d2fdgbgab = 0.0; in b97_2_second()
1041 ds->df00011+= factor*d2fdgbgab; in b97_2_second()
1052 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_2_third() local
1842 d2fdgbgab = 0.0; in b97_2_third()
2249 ds->df00011+= factor*d2fdgbgab; in b97_2_third()
2296 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_2_fourth() local
3834 d2fdgbgab = 0.0; in b97_2_fourth()
5071 ds->df00011+= factor*d2fdgbgab; in b97_2_fourth()
H A Dfun-b97-1.c507 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_1_second() local
1020 d2fdgbgab = 0.0; in b97_1_second()
1043 ds->df00011+= factor*d2fdgbgab; in b97_1_second()
1054 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_1_third() local
1844 d2fdgbgab = 0.0; in b97_1_third()
2254 ds->df00011+= factor*d2fdgbgab; in b97_1_third()
2301 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_1_fourth() local
3841 d2fdgbgab = 0.0; in b97_1_fourth()
5081 ds->df00011+= factor*d2fdgbgab; in b97_1_fourth()
H A Dfun-1-4.c562 d2fdgbgb, d2fdgbgab, d2fdgabgab; in f14_second() local
1171 d2fdgbgab = 0.0; in f14_second()
1194 ds->df00011+= factor*d2fdgbgab; in f14_second()
1205 d2fdgbgb, d2fdgbgab, d2fdgabgab; in f14_third() local
2113 d2fdgbgab = 0.0; in f14_third()
2605 ds->df00011+= factor*d2fdgbgab; in f14_third()
2652 d2fdgbgb, d2fdgbgab, d2fdgabgab; in f14_fourth() local
4422 d2fdgbgab = 0.0; in f14_fourth()
5868 ds->df00011+= factor*d2fdgbgab; in f14_fourth()
H A Dfun-hcth120.c567 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth120_second() local
1159 d2fdgbgab = 0.0; in hcth120_second()
1182 ds->df00011+= factor*d2fdgbgab; in hcth120_second()
1193 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth120_third() local
2074 d2fdgbgab = 0.0; in hcth120_third()
2551 ds->df00011+= factor*d2fdgbgab; in hcth120_third()
2598 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth120_fourth() local
4309 d2fdgbgab = 0.0; in hcth120_fourth()
5722 ds->df00011+= factor*d2fdgbgab; in hcth120_fourth()
H A Dfun-hcth407.c567 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth407_second() local
1159 d2fdgbgab = 0.0; in hcth407_second()
1182 ds->df00011+= factor*d2fdgbgab; in hcth407_second()
1193 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth407_third() local
2073 d2fdgbgab = 0.0; in hcth407_third()
2551 ds->df00011+= factor*d2fdgbgab; in hcth407_third()
2598 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth407_fourth() local
4307 d2fdgbgab = 0.0; in hcth407_fourth()
5724 ds->df00011+= factor*d2fdgbgab; in hcth407_fourth()
H A Dfun-hcth407p.c571 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth407p_second() local
1163 d2fdgbgab = 0.0; in hcth407p_second()
1186 ds->df00011+= factor*d2fdgbgab; in hcth407p_second()
1197 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth407p_third() local
2074 d2fdgbgab = 0.0; in hcth407p_third()
2548 ds->df00011+= factor*d2fdgbgab; in hcth407p_third()
2595 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth407p_fourth() local
4302 d2fdgbgab = 0.0; in hcth407p_fourth()
5720 ds->df00011+= factor*d2fdgbgab; in hcth407p_fourth()
H A Dfun-hcth93.c572 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth93_second() local
1165 d2fdgbgab = 0.0; in hcth93_second()
1188 ds->df00011+= factor*d2fdgbgab; in hcth93_second()
1199 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth93_third() local
2080 d2fdgbgab = 0.0; in hcth93_third()
2563 ds->df00011+= factor*d2fdgbgab; in hcth93_third()
2610 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth93_fourth() local
4325 d2fdgbgab = 0.0; in hcth93_fourth()
5754 ds->df00011+= factor*d2fdgbgab; in hcth93_fourth()
H A Dfun-hcth147.c566 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth147_second() local
1156 d2fdgbgab = 0.0; in hcth147_second()
1179 ds->df00011+= factor*d2fdgbgab; in hcth147_second()
1190 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth147_third() local
2070 d2fdgbgab = 0.0; in hcth147_third()
2547 ds->df00011+= factor*d2fdgbgab; in hcth147_third()
2594 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth147_fourth() local
4304 d2fdgbgab = 0.0; in hcth147_fourth()
5720 ds->df00011+= factor*d2fdgbgab; in hcth147_fourth()
H A Dfun-hcth93m.c568 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth93m_second() local
1159 d2fdgbgab = 0.0; in hcth93m_second()
1182 ds->df00011+= factor*d2fdgbgab; in hcth93m_second()
1193 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth93m_third() local
2070 d2fdgbgab = 0.0; in hcth93m_third()
2549 ds->df00011+= factor*d2fdgbgab; in hcth93m_third()
2596 d2fdgbgb, d2fdgbgab, d2fdgabgab; in hcth93m_fourth() local
4307 d2fdgbgab = 0.0; in hcth93m_fourth()
5732 ds->df00011+= factor*d2fdgbgab; in hcth93m_fourth()
H A Dfun-pw92c.c477 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw92c_second() local
1187 d2fdgbgab = t4*(26.04166666666667*t110*t27*t288*t289* in pw92c_second()
1222 ds->df00011+= factor*d2fdgbgab; in pw92c_second()
1233 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw92c_third() local
2691 d2fdgbgab = t4*(t478+t474+t473+t472); in pw92c_third()
4137 ds->df00011+= factor*d2fdgbgab; in pw92c_third()
H A Dfun-b97-3.c604 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_3_second() local
1363 d2fdgbgab = 0.0; in b97_3_second()
1386 ds->df00011+= factor*d2fdgbgab; in b97_3_second()
1397 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_3_third() local
2452 d2fdgbgab = 0.0; in b97_3_third()
3314 ds->df00011+= factor*d2fdgbgab; in b97_3_third()
3361 d2fdgbgb, d2fdgbgab, d2fdgabgab; in b97_3_fourth() local
5651 d2fdgbgab = 0.0; in b97_3_fourth()
8078 ds->df00011+= factor*d2fdgbgab; in b97_3_fourth()
/dports/science/ergo/ergo-3.8/source/dft/
H A Dfun-pbec.c435 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pbec_second() local
1107 d2fdgbgab = .0040078715083799*t8*t11*t50*t32*t111*(.7443685075970145* in pbec_second()
1139 ds->df00011+= factor*d2fdgbgab; in pbec_second()
H A Dfun-p86c.c240 d2fdrbgab, d2fdgagb, d2fdgagab, d2fdgbgab, d2fdgabgab; in p86c_second() local
448 d2fdgbgab = 4.514119337620827E-7*t1*t22*gradb*t105*t13* in p86c_second()
473 ds->df00011+= factor*d2fdgbgab; in p86c_second()
H A Dfun-pw91c.c308 d2fdrbgab, d2fdgagb, d2fdgagab, d2fdgbgab, d2fdgabgab; in pw91c_second() local
574 d2fdgbgab = t4*(833.3333333333334*t108*t20*t25*t3*t48* in pw91c_second()
608 ds->df00011+= factor*d2fdgbgab; in pw91c_second()
H A Dfun-pw92c.c473 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw92c_second() local
1183 d2fdgbgab = t4*(26.04166666666667*t110*t27*t288*t289* in pw92c_second()
1218 ds->df00011+= factor*d2fdgbgab; in pw92c_second()
1229 d2fdgbgb, d2fdgbgab, d2fdgabgab; in pw92c_third() local
2687 d2fdgbgab = t4*(t478+t474+t473+t472); in pw92c_third()
4133 ds->df00011+= factor*d2fdgbgab; in pw92c_third()