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Searched refs:d3fdgagaab (Results 1 – 21 of 21) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-wignerc.c247 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in wignerc_third() local
342 d3fdgagaab = 0.0; in wignerc_third()
401 ds->df00201 += factor*d3fdgagaab; in wignerc_third()
424 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in wignerc_fourth() local
548 d3fdgagaab = 0.0; in wignerc_fourth()
694 ds->df00201 += factor*d3fdgagaab; in wignerc_fourth()
H A Dfun-b86.c230 real d3fdrbabab , d3fdgagaga , d3fdgagagb , d3fdgagaab ; in becke86_third() local
334 d3fdgagaab = 0.0; in becke86_third()
389 ds->df00201+= factor*d3fdgagaab; in becke86_third()
414 real d3fdrbabab , d3fdgagaga , d3fdgagagb , d3fdgagaab ; in becke86_fourth() local
558 d3fdgagaab = 0.0; in becke86_fourth()
683 ds->df00201 += factor*d3fdgagaab; in becke86_fourth()
H A Dfun-pbex.c211 real d3fdrbabab , d3fdgagaga , d3fdgagagb , d3fdgagaab ; in pbex_third() local
303 d3fdgagaab = 0.0; in pbex_third()
358 ds->df00201+= factor*d3fdgagaab; in pbex_third()
383 real d3fdrbabab , d3fdgagaga , d3fdgagagb , d3fdgagaab ; in pbex_fourth() local
516 d3fdgagaab = 0.0; in pbex_fourth()
641 ds->df00201 += factor*d3fdgagaab; in pbex_fourth()
H A Dfun-pw91nc.c615 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in pw91nc_third() local
1293 d3fdgagaab = t4* in pw91nc_third()
1434 ds->df00201 += factor*d3fdgagaab; in pw91nc_third()
H A Dfun-wl90c.c267 real d3fdrbabab , d3fdgagaga , d3fdgagagb , d3fdgagaab ; in wl90c_third() local
428 …d3fdgagaab = t[66]+0.18003*t[15]*t[103]*t[12]*t[5]*t[23]+0.108018*grada*t[60]*t[10]*t[12]*t[5]*t[1… in wl90c_third()
483 ds->df00201+= factor*d3fdgagaab; in wl90c_third()
509 real d3fdrbabab , d3fdgagaga , d3fdgagagb , d3fdgagaab ; in wl90c_fourth() local
884 d3fdgagaab = t[66]+t[169]+t[168]+t[167]; in wl90c_fourth()
1009 ds->df00201 += factor*d3fdgagaab; in wl90c_fourth()
H A Dfun-pw92ac.c481 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in pw92ac_third() local
1072 d3fdgagaab = 0.0; in pw92ac_third()
1131 ds->df00201 += factor*d3fdgagaab; in pw92ac_third()
1154 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in pw92ac_fourth() local
1951 d3fdgagaab = 0.0; in pw92ac_fourth()
2859 ds->df00201 += factor*d3fdgagaab; in pw92ac_fourth()
H A Dfun-b97-k.c1057 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_k_third() local
2201 d3fdgagaab = 0.0; in b97_k_third()
2272 ds->df00201 += factor*d3fdgagaab; in b97_k_third()
2295 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_k_fourth() local
3913 d3fdgagaab = 0.0; in b97_k_fourth()
5092 ds->df00201 += factor*d3fdgagaab; in b97_k_fourth()
H A Dfun-b97.c1058 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_third() local
2203 d3fdgagaab = 0.0; in b97_third()
2274 ds->df00201 += factor*d3fdgagaab; in b97_third()
2297 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_fourth() local
3914 d3fdgagaab = 0.0; in b97_fourth()
5093 ds->df00201 += factor*d3fdgagaab; in b97_fourth()
H A Dfun-b97-d.c1060 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_d_third() local
2237 d3fdgagaab = 0.0; in b97_d_third()
2308 ds->df00201 += factor*d3fdgagaab; in b97_d_third()
2331 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_d_fourth() local
4003 d3fdgagaab = 0.0; in b97_d_fourth()
5190 ds->df00201 += factor*d3fdgagaab; in b97_d_fourth()
H A Dfun-b97-2.c1058 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_2_third() local
2207 d3fdgagaab = 0.0; in b97_2_third()
2279 ds->df00201 += factor*d3fdgagaab; in b97_2_third()
2302 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_2_fourth() local
3922 d3fdgagaab = 0.0; in b97_2_fourth()
5101 ds->df00201 += factor*d3fdgagaab; in b97_2_fourth()
H A Dfun-b97-1.c1060 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_1_third() local
2213 d3fdgagaab = 0.0; in b97_1_third()
2284 ds->df00201 += factor*d3fdgagaab; in b97_1_third()
2307 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_1_fourth() local
3929 d3fdgagaab = 0.0; in b97_1_fourth()
5111 ds->df00201 += factor*d3fdgagaab; in b97_1_fourth()
H A Dfun-1-4.c1211 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in f14_third() local
2556 d3fdgagaab = 0.0; in f14_third()
2635 ds->df00201 += factor*d3fdgagaab; in f14_third()
2658 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in f14_fourth() local
4511 d3fdgagaab = 0.0; in f14_fourth()
5898 ds->df00201 += factor*d3fdgagaab; in f14_fourth()
H A Dfun-hcth120.c1199 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth120_third() local
2502 d3fdgagaab = 0.0; in hcth120_third()
2581 ds->df00201 += factor*d3fdgagaab; in hcth120_third()
2604 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth120_fourth() local
4397 d3fdgagaab = 0.0; in hcth120_fourth()
5752 ds->df00201 += factor*d3fdgagaab; in hcth120_fourth()
H A Dfun-hcth407.c1199 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth407_third() local
2502 d3fdgagaab = 0.0; in hcth407_third()
2581 ds->df00201 += factor*d3fdgagaab; in hcth407_third()
2604 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth407_fourth() local
4395 d3fdgagaab = 0.0; in hcth407_fourth()
5754 ds->df00201 += factor*d3fdgagaab; in hcth407_fourth()
H A Dfun-hcth407p.c1203 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth407p_third() local
2501 d3fdgagaab = 0.0; in hcth407p_third()
2578 ds->df00201 += factor*d3fdgagaab; in hcth407p_third()
2601 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth407p_fourth() local
4390 d3fdgagaab = 0.0; in hcth407p_fourth()
5750 ds->df00201 += factor*d3fdgagaab; in hcth407p_fourth()
H A Dfun-hcth93.c1205 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth93_third() local
2514 d3fdgagaab = 0.0; in hcth93_third()
2593 ds->df00201 += factor*d3fdgagaab; in hcth93_third()
2616 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth93_fourth() local
4413 d3fdgagaab = 0.0; in hcth93_fourth()
5784 ds->df00201 += factor*d3fdgagaab; in hcth93_fourth()
H A Dfun-hcth147.c1196 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth147_third() local
2499 d3fdgagaab = 0.0; in hcth147_third()
2577 ds->df00201 += factor*d3fdgagaab; in hcth147_third()
2600 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth147_fourth() local
4392 d3fdgagaab = 0.0; in hcth147_fourth()
5750 ds->df00201 += factor*d3fdgagaab; in hcth147_fourth()
H A Dfun-hcth93m.c1199 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth93m_third() local
2501 d3fdgagaab = 0.0; in hcth93m_third()
2579 ds->df00201 += factor*d3fdgagaab; in hcth93m_third()
2602 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in hcth93m_fourth() local
4395 d3fdgagaab = 0.0; in hcth93m_fourth()
5762 ds->df00201 += factor*d3fdgagaab; in hcth93m_fourth()
H A Dfun-b97-3.c1403 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_3_third() local
3230 d3fdgagaab = 0.0; in b97_3_third()
3344 ds->df00201 += factor*d3fdgagaab; in b97_3_third()
3367 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in b97_3_fourth() local
5739 d3fdgagaab = 0.0; in b97_3_fourth()
8108 ds->df00201 += factor*d3fdgagaab; in b97_3_fourth()
H A Dfun-pw92c.c1239 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in pw92c_third() local
4017 d3fdgagaab = t4*(-108.5069444444444*t1*t27*t3*t33*t515* in pw92c_third()
4167 ds->df00201 += factor*d3fdgagaab; in pw92c_third()
/dports/science/ergo/ergo-3.8/source/dft/
H A Dfun-pw92c.c1235 d3fdgagaga, d3fdgagagb, d3fdgagaab, d3fdgagbgb, d3fdgagbab, in pw92c_third() local
4013 d3fdgagaab = t4*(-108.5069444444444*t1*t27*t3*t33*t515* in pw92c_third()
4163 ds->df00201 += factor*d3fdgagaab; in pw92c_third()