/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-wignerc.c | 433 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in wignerc_fourth() local 611 d4fdrbrbrbab = 0.0; in wignerc_fourth() 741 ds->df03001 += factor*d4fdrbrbrbab; in wignerc_fourth()
|
H A D | fun-b86.c | 426 real d4fdrbrbrbga , d4fdrbrbrbgb , d4fdrbrbrbab , d4fdrbrbgaga ; in becke86_fourth() local 604 d4fdrbrbrbab = 0.0; in becke86_fourth() 729 ds->df03001 += factor*d4fdrbrbrbab; in becke86_fourth()
|
H A D | fun-pbex.c | 395 real d4fdrbrbrbga , d4fdrbrbrbgb , d4fdrbrbrbab , d4fdrbrbgaga ; in pbex_fourth() local 562 d4fdrbrbrbab = 0.0; in pbex_fourth() 687 ds->df03001 += factor*d4fdrbrbrbab; in pbex_fourth()
|
H A D | fun-wl90c.c | 521 real d4fdrbrbrbga , d4fdrbrbrbgb , d4fdrbrbrbab , d4fdrbrbgaga ; in wl90c_fourth() local 930 …d4fdrbrbrbab = 0.02250375*t[29]*t[12]*t[77]*t[144]*t[23]+0.0150025*t[29]*t[7]*t[41]*t[56]*t[23]+t[… in wl90c_fourth() 1055 ds->df03001 += factor*d4fdrbrbrbab; in wl90c_fourth()
|
H A D | fun-pw92ac.c | 1163 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in pw92ac_fourth() local 2738 d4fdrbrbrbab = 0.004235*t1*(t29*t30*t6*(12.0*t118*t8- in pw92ac_fourth() 2906 ds->df03001 += factor*d4fdrbrbrbab; in pw92ac_fourth()
|
H A D | fun-b97-k.c | 2304 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_k_fourth() local 4906 d4fdrbrbrbab = 0.0; in b97_k_fourth() 5139 ds->df03001 += factor*d4fdrbrbrbab; in b97_k_fourth()
|
H A D | fun-b97.c | 2306 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_fourth() local 4909 d4fdrbrbrbab = 0.0; in b97_fourth() 5140 ds->df03001 += factor*d4fdrbrbrbab; in b97_fourth()
|
H A D | fun-b97-d.c | 2340 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_d_fourth() local 5003 d4fdrbrbrbab = 0.0; in b97_d_fourth() 5237 ds->df03001 += factor*d4fdrbrbrbab; in b97_d_fourth()
|
H A D | fun-b97-2.c | 2311 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_2_fourth() local 4917 d4fdrbrbrbab = 0.0; in b97_2_fourth() 5148 ds->df03001 += factor*d4fdrbrbrbab; in b97_2_fourth()
|
H A D | fun-b97-1.c | 2316 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_1_fourth() local 4925 d4fdrbrbrbab = 0.0; in b97_1_fourth() 5158 ds->df03001 += factor*d4fdrbrbrbab; in b97_1_fourth()
|
H A D | fun-1-4.c | 2667 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in f14_fourth() local 5652 d4fdrbrbrbab = 0.0; in f14_fourth() 5945 ds->df03001 += factor*d4fdrbrbrbab; in f14_fourth()
|
H A D | fun-hcth120.c | 2613 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth120_fourth() local 5515 d4fdrbrbrbab = 0.0; in hcth120_fourth() 5799 ds->df03001 += factor*d4fdrbrbrbab; in hcth120_fourth()
|
H A D | fun-hcth407.c | 2613 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth407_fourth() local 5516 d4fdrbrbrbab = 0.0; in hcth407_fourth() 5801 ds->df03001 += factor*d4fdrbrbrbab; in hcth407_fourth()
|
H A D | fun-hcth407p.c | 2610 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth407p_fourth() local 5513 d4fdrbrbrbab = 0.0; in hcth407p_fourth() 5797 ds->df03001 += factor*d4fdrbrbrbab; in hcth407p_fourth()
|
H A D | fun-hcth93.c | 2625 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth93_fourth() local 5542 d4fdrbrbrbab = 0.0; in hcth93_fourth() 5831 ds->df03001 += factor*d4fdrbrbrbab; in hcth93_fourth()
|
H A D | fun-hcth147.c | 2609 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth147_fourth() local 5512 d4fdrbrbrbab = 0.0; in hcth147_fourth() 5797 ds->df03001 += factor*d4fdrbrbrbab; in hcth147_fourth()
|
H A D | fun-hcth93m.c | 2611 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in hcth93m_fourth() local 5521 d4fdrbrbrbab = 0.0; in hcth93m_fourth() 5809 ds->df03001 += factor*d4fdrbrbrbab; in hcth93m_fourth()
|
H A D | fun-b97-3.c | 3376 d4fdraababab, d4fdrbrbrbrb, d4fdrbrbrbga, d4fdrbrbrbgb, d4fdrbrbrbab, in b97_3_fourth() local 7536 d4fdrbrbrbab = 0.0; in b97_3_fourth() 8155 ds->df03001 += factor*d4fdrbrbrbab; in b97_3_fourth()
|