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Searched refs:t3547 (Results 1 – 25 of 56) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F339 t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & local
1812 t3547 = t60*t3546
1817 t3575 = -0.6172839508e-1_dp*t719*t874 - 0.5555555556e0_dp*t3547*t709 &
2001 *t1125 + 0.7407407410e-1_dp*t1785*t1221 - 0.1111111111e1_dp*t3547 &
2014 *t4352*t275 - 0.5555555556e0_dp*t3547*t1745 + 0.7407407410e-1_dp &
3118 t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, t360, & local
4588 t3547 = t60*t3546
4593 t3575 = -0.6172839508e-1_dp*t719*t874 - 0.5555555556e0_dp*t3547*t709 &
4777 *t1125 + 0.7407407410e-1_dp*t1785*t1221 - 0.1111111111e1_dp*t3547 &
4790 *t4352*t275 - 0.5555555556e0_dp*t3547*t1745 + 0.7407407410e-1_dp &
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F339 t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & local
1812 t3547 = t60*t3546
1817 t3575 = -0.6172839508e-1_dp*t719*t874 - 0.5555555556e0_dp*t3547*t709 &
2001 *t1125 + 0.7407407410e-1_dp*t1785*t1221 - 0.1111111111e1_dp*t3547 &
2014 *t4352*t275 - 0.5555555556e0_dp*t3547*t1745 + 0.7407407410e-1_dp &
3118 t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, t360, & local
4588 t3547 = t60*t3546
4593 t3575 = -0.6172839508e-1_dp*t719*t874 - 0.5555555556e0_dp*t3547*t709 &
4777 *t1125 + 0.7407407410e-1_dp*t1785*t1221 - 0.1111111111e1_dp*t3547 &
4790 *t4352*t275 - 0.5555555556e0_dp*t3547*t1745 + 0.7407407410e-1_dp &
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_c_p86.c998 double t3543, t3545, t3546, t3547, t3550, t3552, t3554, t3556; in func_pol() local
2706 t3547 = 0.13216396458361250e-5 * t1319; in func_pol()
2721 …v4rho2sigma2[3] = t3542 - t3543 + 0.24387247500000000000e-2 * t1307 - t3545 - t3546 + t3547 - 0.66… in func_pol()
2764 …v4rho2sigma2[9] = t3542 - t3543 + t1337 - t3545 - t3546 + t3547 - t1341 + t1354 - t1355 + t7 * (t3… in func_pol()
2789 …v4rho2sigma2[15] = t3542 - t3543 + 0.24387247500000000000e-2 * t1344 - t3545 - t3546 + t3547 - 0.6… in func_pol()
H A Dgga_k_meyer.c1344 double t3514, t3526, t3527, t3530, t3541, t3545, t3547, t3555; in func_pol() local
2707 t3547 = t1024 * t267; in func_pol()
2740 … * t1004 / 0.2e1 + 0.5e1 / 0.3e1 * t3541 + 0.5e1 / 0.3e1 * t3545 - t581 * t3547 * t1026 / 0.9e1 + … in func_pol()
2761 … + t581 * t3530 * t180 / 0.2e1 + t1607 * t5 * t14 * t267 / 0.2e1 - t581 * t3547 * t1130 / 0.9e1 + … in func_pol()
2778 … / 0.9e1 * t3545 - t3562 + t3564 / 0.3e1 + 0.5e1 / 0.9e1 * t3907 - t581 * t3547 * t1212 / 0.9e1 + … in func_pol()
2792 … * t3853 + 0.5e1 / 0.3e1 * t3907 + 0.5e1 / 0.2e1 * t3918 - t3562 - t581 * t3547 * t1407 / 0.9e1 + … in func_pol()
H A Dgga_x_pw91.c1039 double t3495, t3498, t3507, t3540, t3546, t3547, t3559, t3574; in func_pol() local
2368 t3547 = t1424 * t1620; in func_pol()
2370 …v4rho2sigma2[5] = -t3546 - 0.4e1 / 0.3e1 * t3547 - t262 * t479 * t780 * t436 / 0.6e1 - t262 * t646… in func_pol()
2391 …v4rho2sigma2[11] = -t3546 - 0.2e1 / 0.3e1 * t3547 - 0.2e1 / 0.3e1 * t3574 - t1428 * t434 * t780 * … in func_pol()
H A Dgga_c_wl.c515 double t3544, t3545, t3546, t3547, t3548, t3549, t3550, t3554; in func_pol() local
2119 t3547 = t724 * t759; in func_pol()
2120 t3548 = 0.13502250000000000000e-1 * t3547; in func_pol()
2184 …t3688 = -t3675 + t3676 - t3677 - 0.67511250000000000000e-2 * t3547 + 0.27004500000000000000e-1 * t… in func_pol()
H A Dgga_c_tca.c930 double t3547, t3549, t3552, t3554, t3556, t3559, t3561, t3566; in func_pol() local
2741 t3547 = t368 * t36 * t91; in func_pol()
2742 t3549 = t306 * t2269 * t1019 * t3547; in func_pol()
2750 t3575 = t315 * t2253 * t1019 * t3547; in func_pol()
H A Dgga_x_beefvdw.c107 double t3478, t3513, t3547, t3584, t3620, t3657, t3693, t3730; in func_unpol() local
777 …t3547 = -0.26672098451399132162e10 * t68 * t3432 - 0.33665573567361888725e9 * t38 * t3432 - 0.7354… in func_unpol()
784 …v4sigma4[0] = -0.3e1 / 0.16e2 * t100 * t101 * (t3478 + t3513 + t3547 + t3584 + t3620 + t3657 + t36… in func_unpol()
1744 double t3545, t3547, t3549, t3551, t3553, t3555, t3557, t3559; in func_pol() local
3209 …t3547 = -0.16670336442633356512e2 * t3525 - 0.43785472736230281612e3 * t3527 + 0.36650441951179020… in func_pol()
3246 …99945242496238e6 * t50 * t3502 + 0.90668591586033271558e8 * t43 * t3513 + t3547 + t3660 - 0.269393… in func_pol()
H A Dgga_x_lag.c841 double t3547, t3549, t3551, t3553, t3555, t3557, t3567, t3568; in func_pol() local
2809 t3547 = t2994 * t1154; in func_pol()
2814 … t3543 - 0.43815804803972601897e-10 * t3545 + 0.51383675081029983270e-6 * t3547 + 0.10532418029197… in func_pol()
2857 …* t3543 - 0.17526321921589040759e-9 * t3545 + 0.20553470032411993309e-5 * t3547 + 0.42129672116789… in func_pol()
H A Dhyb_gga_xc_wb97.c1970 double t3540, t3541, t3542, t3543, t3544, t3545, t3546, t3547; in func_pol() local
4720 t3547 = t1102 * t1133; in func_pol()
4721 t3548 = t741 * t3547; in func_pol()
7270 t9820 = t2071 * t3547; in func_pol()
7477 t10249 = t2068 * t3547; in func_pol()
7518 t10316 = t2656 * t3547; in func_pol()
7521 t10319 = t2659 * t3547; in func_pol()
10842 …t4952 * t3547 - 0.10000000000000000000e1 * t24357 * t1944 + 0.16082341588935348987e2 * t16271 * t3… in func_pol()
11263 … * t6984 * t1051 * t1 * t567 / 0.3e1 + 0.10000000000000000000e1 * t4955 * t3547 + 0.20000000000000… in func_pol()
11310 … t2659 * t9822 + 0.30000000000000000000e1 * t7051 * t3547 + 0.30000000000000000000e1 * t7059 * t35… in func_pol()
[all …]
H A Dgga_x_lg93.c1051 double t3516, t3521, t3522, t3530, t3547, t3561, t3577, t3579; in func_pol() local
3009 t3547 = t225 * t8; in func_pol()
3011 … + 0.4e1 / 0.9e1 * t4 * t944 * t491 * t81 * t3547 * t147 - 0.16649333333333333333e-1 * t3166 * t12… in func_pol()
H A Dgga_x_sfat.c153 double t3513, t3539, t3540, t3547, t3551, t3562, t3564, t3567; in func_unpol() local
1213 …t3547 = 0.4e1 / 0.3e1 * t554 * t505 * t1551 * t140 + 0.4e1 / 0.3e1 * t554 * t505 * t728 * t366 + 0… in func_unpol()
1297 t4357 = my_piecewise3(t49, t3487 + t3547, t3604 + t4274 + t4313 + t4354); in func_unpol()
1637 double t3536, t3547, t3554, t3563, t3569, t3573, t3591, t3594; in func_ferr() local
2654 …t3547 = 0.8e1 * t398 * t1457 - 0.18e2 * t1271 * t1468 + 0.4e1 * t155 * t3496 - 0.9e1 * t388 * t350… in func_ferr()
2716 t4229 = my_piecewise3(t42, t3386 + t3445, t3490 + t3547 + t4182 + t4226); in func_ferr()
3117 double t3530, t3532, t3544, t3547, t3549, t3558, t3562, t3568; in func_pol() local
4906 …t3547 = 0.9e1 * t504 * t3513 + 0.6e1 * t504 * t3518 + 0.3e1 * t504 * t3522 + 0.9e1 / 0.16e2 * t221… in func_pol()
4953 …16e2 * t807 * t3452 + 0.3e1 / 0.8e1 * t279 * t3456 - 0.36e2 * t504 * t3461 + t3510 + t3547 + t3681; in func_pol()
H A Dgga_xc_b97.c1782 double t3532, t3533, t3534, t3536, t3538, t3541, t3547, t3550; in func_pol() local
4148 t3547 = 0.1e1 / t1330 / t74; in func_pol()
4150 …/ 0.3e1 * t3541 * t1184 + 0.4e1 / 0.3e1 * t265 * t3340 - 0.8e1 / 0.27e2 * t3547 * t3308 + 0.4e1 / … in func_pol()
4906 t5043 = t3547 * t700; in func_pol()
5166 t5778 = t3547 * t2271; in func_pol()
5484 …/ 0.3e1 * t2045 * t2146 + 0.4e1 / 0.3e1 * t265 * t6478 - 0.8e1 / 0.27e2 * t3547 * t6447 + 0.4e1 / … in func_pol()
6784 ….3e1 * t265 * t9460 + 0.40e2 / 0.81e2 * t10368 * t9044 - 0.16e2 / 0.9e1 * t3547 * t1099 * t1114 + … in func_pol()
7369 … * t700 * t3308 - 0.8e1 / 0.9e1 * t5043 * t409 * t1114 + 0.16e2 / 0.9e1 * t3547 * t1 * t1111 * t10… in func_pol()
7678 …0.9e1 * t2051 * t1111 + 0.16e2 / 0.3e1 * t2051 * t3322 - 0.8e1 / 0.27e2 * t3547 * t2151 * t1099 + … in func_pol()
H A Dgga_c_scan_e0.c1583 double t3545, t3546, t3547, t3548, t3549, t3550, t3551, t3552; in func_pol() local
3921 t3547 = 0.576e3 * t3546; in func_pol()
3944 …965 * t598 + 0.24e2 * t572 * t3574 * t240 + 0.18e2 * t90 * t382 * t3581 - t3547 + t3549 - t3551 + … in func_pol()
4225 …t4479 = -t3547 + t3549 - t3551 + t3553 - t3555 + t3557 - t3559 + t3568 - t3570 + t3573 + t3591 + t… in func_pol()
5213 …t8712 = 0.18e2 * t572 * t2374 * t971 + 0.24e2 * t786 * t787 * t2836 - t3547 - t3549 + t3568 + t870… in func_pol()
5247 …t8954 = t8700 - t8701 + t8702 - t8703 - t8704 - t3547 - t3549 + t3568 - t8708 + t8709 + t8710 + t8… in func_pol()
H A Dgga_c_pw91.c1979 double t3534, t3536, t3539, t3541, t3543, t3547, t3550, t3552; in func_pol() local
4576 …t3547 = 0.27818116767324025134e1 * t97 * t3317 * t158 - 0.55636233534648050268e1 * t97 * t3321 * t… in func_pol()
4577 t3550 = t89 * t95 * t3547 * t397; in func_pol()
6577 t8296 = t3547 * t397; in func_pol()
6978 …47e-1 * t730 * t731 * t2868 - t8536 - 0.77534644304710291488e-2 * t1093 * t3547 * t1063 * t395 + t… in func_pol()
7020 …50 + 0.35e2 / 0.9e1 * t6355 - 0.51689762869806860992e-2 * t1093 * t1094 * t3547 + t9929 + t9930 + … in func_pol()
8205 …42058298e-1 * t8256 * t1734 - 0.25844881434903430496e-2 * t1093 * t1642 * t3547 + 0.15506928860942… in func_pol()
8465 …e-2 * t1093 * t4902 * t1330 - 0.25844881434903430496e-2 * t1093 * t1723 * t3547 - 0.25e2 / 0.3e1 *… in func_pol()
H A Dgga_c_op_g96.c774 double t3539, t3542, t3545, t3546, t3547, t3548, t3549, t3552; in func_pol() local
2656 t3547 = t253 * t3440; in func_pol()
2658 t3549 = t3547 * t3548; in func_pol()
4993 …2831619514e-3 * t449 * t678 * t3610 + 0.30216591166471119425e-7 * t3546 * t3547 * t17606 - 0.54688… in func_pol()
5004 t18037 = t3547 * t685 * t17675; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_m11_l.c2219 double t3451, t3466, t3469, t3495, t3520, t3547, t3558, t3567; in func_ferr() local
3128 …t3547 = -0.22000e5 / 0.9e1 * t264 * t2762 - 0.22000e5 / 0.9e1 * t1475 * t2755 - 0.48400e5 / 0.9e1 … in func_ferr()
3141 t3635 = t3442 + t3469 + t3495 + t3520 + t3547 + t3575 + t3603 + t3632; in func_ferr()
4128 double t3547, t3552, t3553, t3556, t3562, t3563, t3564, t3567; in func_pol() local
6051 t3547 = t153 * t376; in func_pol()
6063 …38 * t3531 + 0.450e3 * t1138 * t3535 + 0.250e3 * t382 * t3544 + 0.250e3 * t3547 * t3535 + 0.5000e4… in func_pol()
6560 … t1152 * t5919 + 0.2e1 * t342 * t5875 + 0.72e2 * t3538 * t5903 + 0.90e2 * t3547 * t5908 + 0.110e3 … in func_pol()
8381 …3 * t3571 * t13206 + 0.900e3 * t3547 * t13228 + 0.2000e4 * t1145 * t13133 - 0.2000e4 * t11009 * t1… in func_pol()
12288 …9720e4 * t15256 * t3538 + 0.2520e4 * t15256 * t372 + 0.13500e5 * t15260 * t3547 + 0.18150e5 * t152… in func_pol()
12293 … - 0.88000e5 * t1145 * t38868 - 0.125840e6 * t1152 * t38876 - 0.99000e5 * t3547 * t38737 - 0.14520… in func_pol()
[all …]
H A Dmgga_c_kcis.c1795 t3547 = t3546 * t450; in func_unpol()
9290 t3547 = t121 * t208; in func_pol()
9292 t3549 = t3547 * t3548; in func_pol()
9890 t4874 = t3547 * t4546; in func_pol()
12053 t9314 = t3547 * t3304; in func_pol()
14887 t16348 = t3547 * t4618; in func_pol()
14892 t16374 = t3547 * t4552; in func_pol()
14952 t16589 = t276 * t3547; in func_pol()
15286 t17416 = t3547 * t5590; in func_pol()
20810 t29980 = t3547 * t9684; in func_pol()
[all …]
H A Dmgga_x_br89_explicit.c180 double t3546, t3547, t3554, t3557, t3560, t3563, t3564, t3567; in func_unpol() local
2076 t3547 = t3546 * t1069; in func_unpol()
5417 t21993 = t334 * t3547; in func_unpol()
5421 t22000 = t336 * t3547; in func_unpol()
5425 t22007 = t338 * t3547; in func_unpol()
5429 t22014 = t941 * t3547; in func_unpol()
5433 t22021 = t3031 * t3547; in func_unpol()
13832 double t3540, t3542, t3543, t3546, t3547, t3556, t3558, t3560; in func_pol() local
17898 t3547 = t3546 * t828; in func_pol()
33562 …4616e1 * t838 * t68675 - 0.95181541917918884987e1 * t3547 * t22883 - 0.95181541917918884987e1 * t3… in func_pol()
[all …]
H A Dmgga_x_mvsb.c2457 double t3524, t3529, t3534, t3535, t3536, t3539, t3542, t3547; in func_pol() local
4708 t3547 = t491 * t1292; in func_pol()
4709 t3548 = t3547 * t192; in func_pol()
5051 t4073 = t3547 * t314; in func_pol()
6328 …t9812 = 0.5e1 / 0.16e2 * t41 * t3547 * t539 + 0.5e1 / 0.16e2 * t41 * t1026 * t2481 + 0.5e1 / 0.8e1… in func_pol()
6741 … * t3238 * t3539 + 0.5e1 / 0.64e2 * t3238 * t3542 + 0.5e1 / 0.8e1 * t41 * t3547 * t854 + 0.5e1 / 0… in func_pol()
7294 …* t1180 + 0.15e2 / 0.16e2 * t41 * t11182 * t314 + 0.15e2 / 0.16e2 * t41 * t3547 * t1194 + 0.5e1 / … in func_pol()
7688 …4289 - 0.135e3 / 0.64e2 * t3534 * t11987 * t314 + 0.15e2 / 0.16e2 * t41 * t3547 * t1376 + 0.15e2 /… in func_pol()
H A Dmgga_x_rscan.c17886 t3547 = t3546 * t4; in func_pol()
17887 t3549 = t3547 * t1180 * t1244; in func_pol()
17981 t3821 = t3547 * t3820; in func_pol()
20551 t9525 = t3547 * t9524; in func_pol()
20765 t10349 = t3547 * t10348; in func_pol()
20952 t11119 = t3547 * t11118; in func_pol()
21936 t13066 = t3547 * t13065; in func_pol()
22102 t13591 = t3547 * t13590; in func_pol()
22258 t14029 = t3547 * t14028; in func_pol()
22381 t14456 = t3547 * t14455; in func_pol()
[all …]
H A Dmgga_c_cs.c784 double t3514, t3520, t3535, t3540, t3542, t3547, t3555, t3564; in func_pol() local
2675 …t3547 = -0.2596704e-1 * t129 * t1316 - 0.30208323199999999999e-2 * t3492 - 0.21924837440000000000e… in func_pol()
2683 v4rho3lapl[5] = t3547 + t3555 + t3564 + t3577; in func_pol()
H A Dmgga_c_b88.c158 double t3547, t3551, t3555, t3558, t3601, t3642, t3644, t3648; in func_unpol() local
1324 t3547 = t14 * t88 * t1429; in func_unpol()
1327 ….10000000000000000000e1 * t3543 * t140 - 0.19841269841269841270e0 * t51 * t3547 - 0.29761904761904… in func_unpol()
1332 …20000000000000000000e1 * t1702 * t1249 - 0.26041666666666666666e0 * t80 * t3547 - 0.39062500000000… in func_unpol()
2641 double t3546, t3547, t3549, t3551, t3552, t3554, t3556, t3558; in func_pol() local
5471 t3547 = t3546 * t387; in func_pol()
5476 …* t3541 + 0.28000000000000000000e-1 * t3544 + 0.28000000000000000000e-1 * t3547 + 0.28000000000000… in func_pol()
8265 t10294 = 0.56000000000000000000e-1 * t3547; in func_pol()
H A Dmgga_c_scanl.c220 double t3539, t3540, t3542, t3543, t3544, t3546, t3547, t3551; in func_unpol() local
2221 t3547 = t3546 * t770; in func_unpol()
5711 double t3547, t3549, t3551, t3553, t3554, t3555, t3556, t3557; in func_ferr() local
7660 t3547 = t1153 * t3546; in func_ferr()
11149 double t3539, t3542, t3547, t3552, t3555, t3559, t3560, t3563; in func_pol() local
15572 t3547 = t162 * t180; in func_pol()
15573 …542 * t189 - 0.5e1 / 0.9e1 * t2526 * t867 + t561 * t3547 / 0.4374e4 + 0.25e2 / 0.864e3 * t1512 * t… in func_pol()
21037 …t16827 = t3914 * t3547 / 0.1458e4 - 0.5e1 / 0.6e1 * t12106 * t867 + 0.25e2 / 0.144e3 * t8090 * t35… in func_pol()
21373 t17662 = t3547 * t17661; in func_pol()
31856 …t3547 / 0.1458e4 + 0.10e2 / 0.6561e4 * t13841 * t12123 - 0.8e1 / 0.2187e4 * t3914 * t12126 - 0.5e1… in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_ml1.c413 double t3538, t3539, t3541, t3542, t3543, t3545, t3546, t3547; in func_pol() local
2085 t3547 = t1560 * t3546; in func_pol()
2105 …0 * t3539 + 0.33880003803468429192e0 * t3543 - 0.33880003803468429192e0 * t3547 - 0.32832386278555… in func_pol()
2153 …1 * t3539 + 0.12261283196508135840e0 * t3543 - 0.12261283196508135840e0 * t3547 - 0.61306415982540… in func_pol()

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