| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_m08.c | 130 double t3672, t3675, t3678, t3703, t3712, t3715, t3716, t3719; in func_unpol() local
2798 double t3695, t3696, t3699, t3700, t3703, t3710, t3711, t3714; in func_pol() local
4325 t3703 = t74 * t185; in func_pol()
4331 …3e1 * t508 * t3696 + 0.8750e4 / 0.9e1 * t196 * t3700 + 0.5000e4 / 0.9e1 * t3703 * t3667 + 0.2500e4… in func_pol()
4704 …t5184 = -0.1000e4 / 0.3e1 * t3703 * t5148 - 0.1500e4 * t1379 * t5001 - 0.150e3 * t1428 * t5073 - 0… in func_pol()
5002 …6 * t6008 + 0.40e2 * t3670 * t6018 + 0.1650e4 * t3675 * t6063 + 0.200e3 * t3703 * t5998 + 0.350e3 … in func_pol()
5905 … + 0.13000e5 / 0.3e1 * t3703 * t10586 + 0.19500e5 * t1379 * t10590 - 0.5000e4 / 0.3e1 * t9069 * t1… in func_pol()
6294 …t12422 = -0.8400e4 * t1379 * t12380 + 0.1000e4 * t9069 * t12374 + 0.8000e4 * t3703 * t12386 - 0.98… in func_pol()
6860 … * t5997 + 0.120e3 * t3670 * t6017 + 0.4950e4 * t3675 * t6062 + 0.600e3 * t3703 * t5997 + 0.1680e4… in func_pol()
6871 …13679 - 0.640e3 * t3670 * t13679 - 0.6000e4 * t1444 * t13700 - 0.4800e4 * t3703 * t13700 - 0.3200e… in func_pol()
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| H A D | mgga_x_regtpss.c | 6271 t3703 = t1253 * t523; in func_ferr()
7514 t10738 = t3703 * t215; in func_ferr()
7522 t10771 = t3703 * t165; in func_ferr()
7584 t11219 = t3703 * t476; in func_ferr()
7908 t13894 = t3703 * t312; in func_ferr()
8185 t16247 = t3703 * t1036; in func_ferr()
8270 t17058 = t3703 * t1175; in func_ferr()
8319 t17446 = t3703 * t1289; in func_ferr()
11120 t3712 = t165 * t3703; in func_pol()
14332 t12172 = t3703 * t236; in func_pol()
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| H A D | mgga_x_2d_prhg07.c | 151 double t3675, t3684, t3699, t3703, t3704, t3706, t3707, t3708; in func_unpol() local
1361 t3703 = t31 * t33 * t204; in func_unpol()
1362 t3704 = t3703 * t780; in func_unpol()
1367 t3711 = t3703 * t783; in func_unpol()
1368 t3713 = t3703 * t803; in func_unpol()
1372 t3722 = t3703 * t806; in func_unpol()
1373 t3724 = t3703 * t800; in func_unpol()
1374 t3726 = t3703 * t794; in func_unpol()
2339 double t3692, t3693, t3703, t3706, t3710, t3716, t3717, t3718; in func_ferr() local
7454 t3703 = t2980 * t3702; in func_pol()
[all …]
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| H A D | mgga_x_mbeef.c | 14422 double t3674, t3676, t3688, t3691, t3693, t3695, t3697, t3703; in func_ferr() local
16789 …t3703 = 0.9009e4 / 0.8e1 * t3691 + 0.3003e4 / 0.16e2 * t3693 - 0.3465e4 / 0.4e1 * t3695 - 0.3465e4… in func_ferr()
16839 … t3906 + 0.554588743e-7 * t196 * t3636 - 0.338128188e-7 * t3703 * t105 + 0.554588743e-7 * t3703 * … in func_ferr()
16850 …t3703 * t92 + 0.888525527e-8 * t196 * t3861 - 0.34961986919017650462e-3 * t3624 - 0.40693442578504… in func_ferr()
16852 t4121 = t3703 * t78; in func_ferr()
18576 t10948 = t3703 * t42; in func_ferr()
19433 …t755 + 0.554588743e-7 * t15059 * t64 + 0.1663766229e-6 * t3703 * t755 - 0.2322674886e-7 * t3703 * … in func_ferr()
23036 t33583 = t3703 * t41; in func_ferr()
27265 …2968750e-1 * t57998 + 0.2665576581e-7 * t3703 * t4285 + 0.628811613e-7 * t731 * t16163 - 0.1014384… in func_ferr()
28368 double t3693, t3697, t3698, t3699, t3700, t3703, t3705, t3707; in func_pol() local
[all …]
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| H A D | mgga_x_m11_l.c | 139 double t3607, t3633, t3658, t3675, t3684, t3687, t3694, t3703; in func_unpol() local
1184 t3703 = t249 * t103; in func_unpol()
1185 …5 * t627 * t2947 + 0.56000e5 / 0.9e1 * t247 * t2981 + 0.35000e5 / 0.9e1 * t3703 * t2912 + 0.49000e… in func_unpol()
1303 …e5 * t663 * t4038 - 0.57200e5 / 0.3e1 * t262 * t4051 - 0.7000e4 / 0.3e1 * t3703 * t3922 - 0.9800e4… in func_unpol()
1478 …1 * t5771 - 0.1344e4 * t247 * t5781 - 0.2016e4 * t250 * t5790 - 0.840e3 * t3703 * t5750 - 0.1344e4… in func_unpol()
1544 t6497 = t3703 * t130; in func_unpol()
2012 …* t4994 + 0.6720e4 * t247 * t4998 + 0.2400e4 * t3694 * t4986 + 0.4200e4 * t3703 * t4990 + 0.15120e… in func_unpol()
2090 …83 + 0.32256e5 * t627 * t11983 + 0.30240e5 * t1631 * t11989 + 0.23520e5 * t3703 * t11989 + 0.16800… in func_unpol()
4134 double t3699, t3700, t3703, t3708, t3715, t3728, t3735, t3736; in func_pol() local
6101 t3703 = t1165 * t1226; in func_pol()
[all …]
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| H A D | mgga_c_m06l.c | 251 double t3698, t3699, t3702, t3703, t3706, t3707, t3708, t3709; in func_unpol() local
2211 t3703 = t761 * t3702; in func_unpol()
5635 double t3686, t3687, t3688, t3692, t3694, t3696, t3701, t3703; in func_pol() local
9318 t3703 = t1291 * t828; in func_pol()
9321 …t3710 = -0.2e1 * t1283 * t3566 + t3701 * t411 - 0.3e1 * t3703 * t800 + 0.2e1 * t3688 - 0.2e1 * t36… in func_pol()
9828 t4590 = t3703 * t1184; in func_pol()
9880 t4704 = t3703 * t1281; in func_pol()
9973 …t4821 = -0.4e1 * t1283 * t4807 + 0.2e1 * t1289 * t4812 - 0.6e1 * t3703 * t1334 + 0.4e1 * t4802 - 0… in func_pol()
10012 …t4888 = -0.6e1 * t3703 * t1389 - 0.4e1 * t4874 * t3565 + 0.2e1 * t4879 * t411 + 0.4e1 * t4869 - 0.… in func_pol()
15318 t14511 = t3703 * t3559; in func_pol()
[all …]
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| H A D | mgga_c_m05.c | 3119 double t3703, t3704, t3706, t3707, t3708, t3710, t3712, t3714; in func_pol() local
6125 t3703 = t955 * t355; in func_pol()
6126 t3704 = t3702 * t3703; in func_pol()
6174 t3825 = t1075 * t3703; in func_pol()
6183 t3839 = t3838 * t3703; in func_pol()
10762 t13261 = t360 * t3703; in func_pol()
10848 …1e2 * t4356 * t4359 - 0.99822801518023203660e5 * t13624 * t649 * t11072 * t3703 - 0.48245938496077… in func_pol()
10864 …155210402e2 * t4410 * t4363 + 0.12414243100625616072e5 * t13707 * t4500 * t3703 + 0.28947563097646… in func_pol()
10920 …t14103 = 0.3e1 * t11365 - 0.120e3 * t14073 + 0.12000000000000000000e2 * t4463 * t1949 * t3703 + 0.… in func_pol()
10941 …2155210402e2 * t1756 * t1341 - 0.57895126195293126241e3 * t4499 * t1957 * t3703 - 0.27981630000000… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_n12.c | 1159 double t3671, t3673, t3678, t3686, t3701, t3703, t3706, t3707; in func_pol() local
2642 t3703 = t1608 * t323; in func_pol()
2643 …42 * t77 - t3644 * t283 + t3671 * t94 - 0.2e1 * t3673 * t283 + t3701 * t111 - 0.3e1 * t3703 * t283; in func_pol()
2671 t3737 = -t3644 * t378 - 0.2e1 * t3673 * t378 - 0.3e1 * t3703 * t378; in func_pol()
3406 …e1 * t8498 * t283 + 0.6e1 * t8501 * t811 + 0.2e1 * t8504 * t811 - 0.3e1 * t3703 * t710 - t3644 * t… in func_pol()
3436 …1 / 0.8e1 * t494 * t495 * (-t3644 * t977 - 0.2e1 * t3673 * t977 - 0.3e1 * t3703 * t977 - t8447 * t… in func_pol()
3459 … * t1083 + 0.12e2 * t8579 * t1083 - t3644 * t1098 - 0.2e1 * t3673 * t1098 - 0.3e1 * t3703 * t1098); in func_pol()
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| H A D | gga_c_pbe.c | 1555 double t3686, t3690, t3693, t3696, t3698, t3699, t3700, t3703; in func_pol() local
3746 t3703 = t1214 * t394; in func_pol()
3749 t3706 = t3703 * t3705; in func_pol()
3755 t3718 = t3703 * t114 * t120 * t121; in func_pol()
5579 t11924 = t3703 * t114 * t286 * t121; in func_pol()
5594 t11971 = t3703 * t11970; in func_pol()
5614 t12014 = t3703 * t12013; in func_pol()
5618 t12025 = t3703 * t3704 * t297; in func_pol()
5620 t12032 = t3703 * t3704 * t270; in func_pol()
5748 t12643 = t3703 * t12639 * t128 * t12599 * t828; in func_pol()
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| H A D | gga_c_lm.c | 898 double t3673, t3685, t3694, t3695, t3703, t3713, t3716, t3722; in func_pol() local
2595 t3703 = t630 * t1576; in func_pol()
2600 …v4rho3sigma[8] = -t3324 + t3326 / 0.324e3 + t3541 / 0.162e3 + t3544 + t3703 / 0.108e3 + t256 * t25… in func_pol()
2655 …v4rho3sigma[11] = -t3324 + t3541 / 0.108e3 + t3703 / 0.36e2 + t256 * t257 * (t3825 + t3826 + t3841… in func_pol()
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| H A D | gga_c_p86.c | 1007 double t3703, t3704, t3705, t3707, t3708, t3709, t3711, t3713; in func_pol() local
2823 t3703 = 0.23128693802132187500e-5 * t3675; in func_pol()
2829 …t3711 = -t3700 + t3701 - 0.30484059375000000000e-3 * t3671 - t3703 - t3704 + t3705 - 0.24780743359… in func_pol()
2882 …t3750 = -t3700 + t3701 - 0.30484059375000000000e-3 * t3739 - t3703 - t3704 + t3705 - 0.24780743359… in func_pol()
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| H A D | gga_c_lyp.c | 579 double t3703, t3704, t3706, t3707, t3709, t3711, t3713, t3714; in func_pol() local
2159 t3703 = t69 * t3702; in func_pol()
2160 t3704 = 0.64e2 * t3703; in func_pol()
2243 t3911 = 0.128e3 / 0.3e1 * t3703; in func_pol()
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| H A D | gga_x_q2d.c | 1172 double t3636, t3640, t3642, t3683, t3699, t3702, t3703, t3705; in func_pol() local
3113 t3703 = t3702 * t1394; in func_pol()
3119 … * t432 * t533 * t441 / 0.248832e6 - t3699 / 0.2592e4 - 0.7e1 / 0.864e3 * t3703 - t3705 / 0.864e3 … in func_pol()
3155 …t3990 = -t3973 / 0.768e3 - t3975 / 0.110592e6 + t3241 + t3284 - t3699 / 0.1728e4 + t3703 / 0.288e3… in func_pol()
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| H A D | gga_x_ncap.c | 2290 double t3677, t3683, t3689, t3692, t3703, t3709, t3715, t3716; in func_pol() local
3972 t3703 = t1325 * t1240 * t119; in func_pol()
3981 …34 - 0.448e3 / 0.9e1 * t1429 * t1384 + 0.64e2 / 0.81e2 * t3703 * t419 - 0.64e2 / 0.81e2 * t3703 * … in func_pol()
4334 …1387 / 0.6e1 + t735 * t3683 / 0.24e2 + 0.16e2 / 0.81e2 * t3703 * t785 - 0.16e2 / 0.81e2 * t3703 * … in func_pol()
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| H A D | gga_c_pw91.c | 1987 double t3692, t3693, t3697, t3699, t3700, t3702, t3703, t3705; in func_pol() local
4644 t3703 = t1554 * t397; in func_pol()
4645 t3705 = t730 * t3703 * t299; in func_pol()
4898 t4295 = t730 * t3703 * t460; in func_pol()
7059 …4710291488e-2 * t89 * t293 * t10009 + 0.15506928860942058298e-1 * t1141 * t3703 * t736 - t6834 + t… in func_pol()
7110 …0.31013857721884116596e-1 * t730 * t2970 * t3735 + 0.77534644304710291488e-2 * t730 * t3703 * t724; in func_pol()
7466 …10 - t8023 - 0.21e2 / 0.2e1 * t8026 + 0.46520786582826174894e-1 * t1141 * t3703 * t3006 + 0.775346… in func_pol()
7518 …710291488e-2 * t1093 * t2970 * t1554 + 0.23260393291413087447e-1 * t730 * t3703 * t1115 - 0.7e1 / … in func_pol()
7900 …768233192e-1 * t730 * t12005 * t460 + 0.93041573165652349788e-1 * t1141 * t3703 * t1403 + 0.6e1 * … in func_pol()
7902 …97 + 0.6e1 * t11898 + 0.2e1 * t12022 + 0.46520786582826174894e-1 * t730 * t3703 * t1388 + 0.186083… in func_pol()
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| H A D | gga_c_gapc.c | 12118 t3703 = 0.1e1 / t3059; in func_pol()
12119 t3705 = t161 * t3703 * t1; in func_pol()
12804 t5284 = t3703 * M_PI; in func_pol()
14372 t9064 = t3703 * t159; in func_pol()
14502 t9252 = t3703 * t115; in func_pol()
14938 t9914 = t3703 * t248; in func_pol()
15588 t11464 = t5 * t3703; in func_pol()
15897 t11930 = t3703 * t1; in func_pol()
16421 t12960 = t102 * t3703 * t1; in func_pol()
17435 t19051 = t7904 * t3703; in func_pol()
[all …]
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| H A D | gga_x_beefvdw.c | 1749 double t3689, t3691, t3693, t3695, t3697, t3699, t3701, t3703; in func_pol() local
3282 t3703 = t139 * t3689; in func_pol()
3337 …0 * t3699 + 0.62516899932914528580e9 * t3701 - 0.51158588735170675322e9 * t3703 - 0.10668839380559… in func_pol()
3853 …- 0.15347576620551202597e10 * t1475 * t1221 - 0.26672098451399132162e10 * t3703 * t330 - 0.3200651… in func_pol()
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| H A D | gga_c_revtca.c | 1308 double t3687, t3690, t3693, t3694, t3697, t3703, t3705, t3708; in func_pol() local
3762 t3703 = t3333 * t168 * t109 * t26 * t15 * t336; in func_pol()
3775 … + t3694 - 0.90332850251292106445e-1 * t3697 + 0.66200456987249472917e1 * t3703 + 0.43351786471668… in func_pol()
3896 …0 * t3693 - 0.18066570050258421290e0 * t3697 + 0.88267275982999297221e1 * t3703 + 0.28901190981112… in func_pol()
3968 …0 + t3694 - 0.27099855075387631936e0 * t3697 + 0.66200456987249472916e1 * t3703 + 0.47831801260635… in func_pol()
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| H A D | gga_c_scan_e0.c | 1591 double t3690, t3691, t3692, t3693, t3694, t3701, t3703, t3705; in func_pol() local
3989 t3703 = t1437 * t174; in func_pol()
4002 …t3728 = -0.28769444444444444444e1 * t3701 + 0.27618666666666666667e2 * t3703 - 0.10229135802469135… in func_pol()
4005 … * t146 * (-0.21099166666666666667e1 * t3701 + 0.20255200000000000000e2 * t3703 - 0.75019259259259… in func_pol()
4081 … * t194 * (-0.39219166666666666667e1 * t3701 + 0.37650400000000000000e2 * t3703 - 0.13944592592592… in func_pol()
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| H A D | gga_c_hcth_a.c | 1523 double t3683, t3690, t3694, t3703, t3704, t3706, t3707, t3708; in func_pol() local
3789 t3703 = t1224 * t1523; in func_pol()
3790 t3704 = t3703 * t1525; in func_pol()
5642 t8658 = 0.32300759038481247380e-3 * t3703 * t3711 * t1201; in func_pol()
5645 t8670 = 0.96902277115443742140e-3 * t3703 * t3707 * t430; in func_pol()
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| H A D | gga_c_zvpbeint.c | 2365 double t3647, t3651, t3652, t3655, t3668, t3681, t3698, t3703; in func_pol() local
5277 …t3703 = 0.6e1 * t1135 * t3655 * t1044 + 0.4e1 * t1135 * t3668 * t1044 + 0.2e1 * t1135 * t3681 * t1… in func_pol()
5278 t3704 = t377 * t3703; in func_pol()
7946 …1317 * t913 - 0.6e1 * t374 * t2241 * t1333 * t913 + 0.4e1 * t374 * t912 * t3703 * t383 + 0.4e1 * t… in func_pol()
8170 …3651 + 0.6e1 * t374 * t912 * t1153 * t1333 + 0.6e1 * t374 * t912 * t450 * t3703 - t907 * t4039 + 0… in func_pol()
9493 …* t5005 - 0.4e1 * t4198 * t13638 * t5004 + 0.2e1 * t1426 * t1427 * t475 * t3703 - 0.2e1 * t15234 *… in func_pol()
9595 … + 0.2e1 * t1470 * t3652 - t16899 * t500 + 0.2e1 * t1426 * t1427 * t496 * t3703 + 0.4e1 * t4615 * … in func_pol()
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| H A D | gga_x_wpbeh.c | 2168 t3703 = t657 * t1076; in func_unpol()
2169 t3704 = t3703 * t592; in func_unpol()
17902 t3703 = t326 * t80; in func_pol()
17903 t3705 = t8 * t3703 * t1125; in func_pol()
18451 t5114 = t8 * t3703 * t1671; in func_pol()
20716 t11946 = t8 * t3703 * t3707; in func_pol()
21468 t13997 = t8 * t3703 * t3711; in func_pol()
21498 t14049 = t8 * t3703 * t5116; in func_pol()
21542 t14142 = t8 * t3703 * t5127; in func_pol()
23741 t21430 = t8 * t3703 * t6365; in func_pol()
[all …]
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| H A D | gga_x_sfat.c | 1639 double t3699, t3703, t3717, t3722, t3750, t3755, t3758, t3759; in func_ferr() local
2670 t3703 = t386 * t666 * t53; in func_ferr()
2691 …t3987 = -t1513 * t406 / 0.16e2 - 0.9e1 / 0.32e2 * t3703 * t390 + t38 * t39 * (t3758 + t3818 + t386… in func_ferr()
2781 …6 + 0.3e1 / 0.8e1 * t180 * t4973 + t1513 * t606 / 0.6e1 - 0.3e1 / 0.8e1 * t3703 * t598 - t1500 * t… in func_ferr()
2833 … t460 * t2266 / 0.8e1 + 0.9e1 / 0.16e2 * t1040 * t2252 - 0.9e1 / 0.32e2 * t3703 * t779 - 0.12e2 * … in func_ferr()
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| H A D | hyb_gga_xc_wb97.c | 1978 double t3684, t3687, t3688, t3695, t3696, t3703, t3704, t3711; in func_pol() local
4782 t3703 = t102 * t1041; in func_pol()
4787 … 0.40277333333333333336e-7 * t1032 * t3696 + 0.87381333333333333340e-10 * t3703 * t3704 + 0.318577… in func_pol()
7741 … 0.65763555555555555559e-6 * t1032 * t10835 - 0.30583466666666666669e-8 * t3703 * t10845 + 0.46603… in func_pol()
8384 … 0.10813440000000000000e-8 * t1032 * t3704 - 0.17476266666666666668e-11 * t3703 * t3714 + 0.127431… in func_pol()
11861 … 0.10462245925925925926e-4 * t1032 * t33160 + 0.78012112592592592598e-7 * t3703 * t33134 - 0.25165… in func_pol()
12315 …0.16141274074074074075e-5 * t1287 * t10835 + 0.89128960000000000004e-10 * t3703 * t10855 - 0.11184… in func_pol()
12506 …0.30365013333333333334e-10 * t1032 * t3714 + 0.41943040000000000003e-13 * t3703 * t12457 - 0.95391… in func_pol()
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| H A D | gga_c_sogga11.c | 155 double t3618, t3619, t3626, t3656, t3697, t3700, t3703, t3706; in func_unpol() local
1239 t3703 = t843 * t44 * t2443; in func_unpol()
1240 …0.18181418725501041429e-4 * t206 * t844 * t3697 + 0.18181418725501041429e-4 * t123 * t3700 * t3703; in func_unpol()
1261 …t3703 + 0.22356069365866105726e-1 * t360 * t879 * t34 * t38 * t189 + 0.54544256176503124290e-4 * t… in func_unpol()
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