| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_bmk.c | 1460 double t4123, t4124, t4126, t4128, t4130, t4132, t4134, t4136; in func_pol() local
3820 t4136 = t566 * t1150; in func_pol()
3821 t4137 = t4136 * t1394; in func_pol()
4121 t4681 = t4136 * t1631; in func_pol()
4612 t5922 = t4136 * t1996; in func_pol()
5920 …t4136 * t4363 - 0.12000000000000000000e2 * t2563 * t1976 * t4184 - 0.19298809906722418785e3 * t110… in func_pol()
6168 …0000000000000e1 * t4081 * t895 * t606 * t412 - 0.64329366355741395948e2 * t4136 * t4039 - t8367 + … in func_pol()
6191 …6494049533612093922e2 * t2536 * t4507 * t905 - 0.32164683177870697974e2 * t4136 * t3650 + 0.200000… in func_pol()
6194 …8 - 0.40000000000000000000e1 * t12142 * t509 - 0.60000000000000000000e1 * t4136 * t4097 - t8496 + … in func_pol()
6416 …868e4 * t11121 * t5137 - 0.96494049533612093922e2 * t4136 * t5134 - 0.48247024766806046961e2 * t41… in func_pol()
[all …]
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| H A D | gga_c_lm.c | 923 double t4134, t4135, t4136, t4137, t4138, t4139, t4140, t4141; in func_pol() local
2868 t4136 = 0.35151771928572387570e-1 * t4090; in func_pol()
2873 t4141 = -t4130 + t4131 + t4132 - t4133 - t4134 + t4135 - t4136 + t4137 - t4138 - t4139 + t4140; in func_pol()
2898 t4165 = -t4130 + t4131 + t4132 - t4133 - t4134 + t4164 - t4136 + t4137 - t4138 - t4139 + t4140; in func_pol()
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| H A D | gga_c_op_pw91.c | 900 double t4136, t4137, t4140, t4141, t4144, t4145, t4148, t4149; in func_pol() local
2844 t4136 = t1061 * t1013; in func_pol()
2845 t4137 = t1060 * t4136; in func_pol()
4862 …7 - 0.66789460000000000000e-1 * t1059 * t3627 * t4136 + 0.22263153333333333333e-1 * t1059 * t3631 … in func_pol()
5059 …00e0 * t1059 * t4215 * t4132 + 0.13357892000000000000e0 * t1059 * t4215 * t4136 - 0.20036838000000… in func_pol()
5061 …0e1 * t538 * t2175 * t15785 - 0.66789460000000000000e-1 * t1059 * t4222 * t4136 + 0.40073676000000… in func_pol()
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| H A D | gga_x_chachiyo.c | 1426 double t4118, t4119, t4122, t4132, t4133, t4136, t4142, t4143; in func_pol() local
4269 t4136 = t4 * t3510 * t17; in func_pol()
4274 …19 * t320 * t49 * t422 / 0.2e1 - 0.7e1 / 0.6e1 * t4133 - 0.5e1 / 0.27e2 * t4136 * t455 * t456 * t1… in func_pol()
4393 … t355 + 0.2e1 / 0.27e2 * t4657 + 0.7e1 / 0.9e1 * t4659 - 0.5e1 / 0.27e2 * t4136 * t455 * t1457 * t… in func_pol()
4489 … / 0.2e1 - 0.5e1 / 0.27e2 * t4112 * t420 * t5266 * t97 - 0.5e1 / 0.27e2 * t4136 * t455 * t5271 * t… in func_pol()
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| H A D | gga_x_q2d.c | 1180 double t4117, t4118, t4124, t4126, t4129, t4131, t4133, t4136; in func_pol() local
3184 …t4136 = 0.85978615454961133971e0 * t224 * sigma[2] * t4082 * t101 + 0.65074859507826985473e-1 * t4… in func_pol()
3194 …t4259 = -0.3e1 / 0.8e1 * t7 * t80 * (t4136 + t4177) * t121 - t3781 / 0.2e1 - t1417 * t1418 * t556 … in func_pol()
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| H A D | gga_c_gapc.c | 257 double t4114, t4120, t4124, t4127, t4130, t4131, t4132, t4136; in func_unpol() local
2334 t4136 = t469 * t1162 * t1452; in func_unpol()
2340 …t3184 * t4136 + 0.10307227254395532330e-5 * t4139 * t1454 + 0.51536136271977661650e-6 * t1457 * t4… in func_unpol()
3286 …t8809 = 0.22544241588791628018e-5 * t8763 * t4136 + 0.41228909017582129320e-5 * t1382 * t3611 - 0.… in func_unpol()
3714 …571280077901422e-5 * t4633 * t9709 + 0.30062746158653635962e-6 * t12728 * t4136 - 0.77237142560155… in func_unpol()
3825 …4166669e-5 * t1065 * t1721 * t1725 - 0.16908181191593721014e-6 * t13726 * t4136 - 0.83405688253936… in func_unpol()
4300 double t4122, t4123, t4126, t4127, t4130, t4133, t4136, t4139; in func_ferr() local
6415 t4136 = t254 * t1181; in func_ferr()
7434 …26e-6 * t1182 * t8672 - 0.67632724766374884052e-6 * t4136 * t3685 + 0.67632724766374884052e-6 * t4… in func_ferr()
7526 …- 0.10995750034989153889e-5 * t4061 * t9209 - 0.21247447126830380095e-5 * t4136 * t3776 - 0.243266… in func_ferr()
[all …]
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| H A D | gga_xc_b97.c | 1812 double t4131, t4134, t4136, t4138, t4140, t4141, t4143, t4146; in func_pol() local
4384 t4136 = 0.58482233974552040708e0 * t633 * t4134; in func_pol()
4388 …7 - 0.17544670192365612213e1 * t4129 - 0.17544670192365612213e1 * t4131 - t4136 - t4140 - 0.519472… in func_pol()
4970 …00e1 * t3465 * t2003 - 0.58482233974552040708e0 * t4129 - 0.11696446794910408142e1 * t4131 - t4136; in func_pol()
5265 …t6125 = -t4136 - t4140 - 0.17315755899375863299e2 * t4141 + t3943 + 0.15545000000000000000e-1 * t6… in func_pol()
5527 …27 + 0.73246220147012639764e-3 * t5306 - 0.54934665110259479823e-3 * t6041 - t4136 - t4140 + t3943; in func_pol()
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| H A D | gga_c_op_b88.c | 845 double t4118, t4119, t4120, t4123, t4126, t4135, t4136, t4140; in func_pol() local
2808 t4136 = t1563 * t4135; in func_pol()
2816 …9999999e-2 * t19 * t755 * t1004 - 0.55999999999999999998e-2 * t19 * t48 * t4136 + 0.55999999999999… in func_pol()
4785 …999999e-2 * t19 * t755 * t3574 + 0.14933333333333333333e-1 * t19 * t165 * t4136 + 0.22399999999999… in func_pol()
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| H A D | gga_x_wpbeh.c | 2306 t4136 = t1832 * t1840; in func_unpol()
8755 t4136 = t4135 * t3764; in func_ferr()
18081 t4137 = t482 * t4136; in func_pol()
20574 t11452 = t1191 * t4136; in func_pol()
20579 t11466 = t455 * t4136; in func_pol()
21955 t15372 = t1786 * t4136; in func_pol()
25375 t26958 = t2446 * t4136; in func_pol()
29961 t45115 = t3945 * t4136; in func_pol()
30070 t46005 = t1248 * t4136; in func_pol()
31531 t53470 = t5298 * t4136; in func_pol()
[all …]
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| H A D | gga_x_gg99.c | 3649 double t4132, t4133, t4136, t4137, t4139, t4151, t4152, t4153; in func_pol() local
6410 t4136 = t278 * t455 * t3; in func_pol()
6411 t4137 = t842 * t4136; in func_pol()
8574 …4e1 / 0.9e1 * t842 * t278 * t1320 * t3 + t12625 + 0.4e1 / 0.9e1 * t2688 * t4136 + t12629 - 0.4e1 /… in func_pol()
8576 t12647 = t2694 * t4136; in func_pol()
9170 ….27e2 * t16870 - 0.2e1 / 0.27e2 * t16014 * t823 + 0.4e1 / 0.9e1 * t4152 * t4136 + 0.4e1 / 0.27e2 *… in func_pol()
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| H A D | gga_c_sogga11.c | 3034 double t4134, t4136, t4138, t4140, t4142, t4144, t4146, t4147; in func_pol() local
5937 t4136 = t1278 * t1052; in func_pol()
5951 …* t4131 + 0.64872812277777777777e-2 * t4134 + 0.16218203069444444444e-2 * t4136 + 0.16218203069444… in func_pol()
6071 …- 0.13901316916666666666e-1 * t4131 + t4505 + 0.32436406138888888887e-2 * t4136 + 0.32436406138888… in func_pol()
6266 …+ t4511 - 0.34753292291666666666e-2 * t4893 + 0.32436406138888888888e-2 * t4136 + 0.32436406138888… in func_pol()
6278 …+ t4977 - 0.69506584583333333330e-2 * t4893 + 0.64872812277777777774e-2 * t4136 + 0.64872812277777… in func_pol()
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| H A D | gga_x_sfat.c | 161 double t4081, t4084, t4088, t4093, t4097, t4119, t4134, t4136; in func_unpol() local
1281 t4136 = t45 * t528; in func_unpol()
1287 …t4136 * t61 * t619 + 0.27e2 / 0.16e2 * t1773 * t1513 + 0.27e2 / 0.32e2 * t1773 * t1517 + 0.9e1 / 0… in func_unpol()
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| H A D | gga_x_sfat_pbe.c | 1745 double t4097, t4100, t4102, t4105, t4107, t4131, t4136, t4138; in func_ferr() local
2887 t4136 = t361 * t82; in func_ferr()
2888 t4138 = t132 * t4136 * t9; in func_ferr()
2900 …t4217 = 0.36657149600753496205e-2 * t358 * t4136 * t1 * t759 + 0.27861605308540596845e-1 * t132 * … in func_ferr()
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| H A D | hyb_gga_xc_wb97.c | 2000 double t4107, t4110, t4111, t4123, t4124, t4127, t4136, t4137; in func_pol() local
4977 t4136 = t896 * t1018; in func_pol()
4978 t4137 = t4136 * sigma[2]; in func_pol()
8674 …00000000000000e-10 * t2050 * t13165 + 0.41472000000000000000e-10 * t892 * t4136 - 0.46656000000000… in func_pol()
8678 …000000000000000e-10 * t885 * t13165 - 0.15552000000000000000e-10 * t404 * t4136 + 0.11664000000000… in func_pol()
12603 t40037 = t4136 * t82; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_m05.c | 3153 double t4134, t4135, t4136, t4138, t4139, t4146, t4151, t4154; in func_pol() local
6399 t4136 = t4135 * t299; in func_pol()
9126 …t9066 = -0.640e3 * t4131 * t9025 - 0.320e3 / 0.3e1 * t1497 * t1881 * t373 + 0.320e3 * t4136 * t413… in func_pol()
9148 …0.640e3 * t4131 * t9115 - 0.160e3 / 0.3e1 * t1498 * t2559 * t365 + 0.320e3 * t4136 * t7632 * t1410; in func_pol()
9185 …t9190 = 0.320e3 * t4136 * t9186 * t366 - 0.96e2 * t4098 * t9157 + 0.64e2 * t4104 * t9166 + 0.144e3… in func_pol()
9214 …t9245 = 0.320e3 * t4136 * t9241 * t685 - 0.96e2 * t4098 * t9211 + 0.64e2 * t4104 * t9220 + 0.144e3… in func_pol()
9233 …640e3 * t4131 * t9271 - 0.160e3 / 0.3e1 * t1498 * t7884 * t55 + 0.320e3 * t4136 * t9277 * t9264 - … in func_pol()
9294 …40e3 * t4131 * t9408 - 0.320e3 / 0.3e1 * t1497 * t1881 * t691 + 0.320e3 * t4136 * t9414 * sigma[2]… in func_pol()
9806 …t9934 = -0.120e3 * t4136 * t7632 * t70 + 0.6e1 * t1446 * t9903 + 0.6e1 * t290 * t9903 + 0.36e2 * t… in func_pol()
9820 …t9967 = -0.120e3 * t4136 * t9186 * t55 + 0.6e1 * t1446 * t9936 + 0.6e1 * t290 * t9936 + 0.36e2 * t… in func_pol()
[all …]
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| H A D | mgga_c_bc95.c | 2292 double t4126, t4128, t4129, t4131, t4132, t4133, t4135, t4136; in func_pol() local
5555 t4136 = t1258 * t4135; in func_pol()
5556 t4137 = t1281 * t4136; in func_pol()
5557 t4139 = t1257 * t4136; in func_pol()
8207 ….66666666666666666668e1 * t3269 * t2884 * t1260 + 0.10721319665795023378e3 * t3279 * t7905 * t4136; in func_pol()
8208 …t8147 = 0.34484008612848933534e4 * t3296 * t833 * t2443 * tau[0] * t4136 + 0.57575370370370370372e… in func_pol()
8903 …803299164487558445e2 * t4098 * t4136 + 0.26803299164487558445e2 * t4101 * t4136 + 0.26803299164487… in func_pol()
8906 …t4136 - 0.16666666666666666667e1 * t1278 * t11394 * t1260 - 0.16666666666666666667e1 * t4132 * t41… in func_pol()
8974 …t4136 + 0.57473347688081555890e3 * t12162 * t4119 + 0.35737732219316744594e2 * t4098 * t4987 + 0.3… in func_pol()
10320 … * t2171 * t1982 - 0.16666666666666666667e1 * t24 * t1068 * t251 * t253 * t4136 + 0.34722222222222… in func_pol()
[all …]
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| H A D | mgga_k_pc07.c | 5800 t4136 = t3926 * t3879; in func_ferr()
5801 t4137 = t4136 * t68; in func_ferr()
10742 t4136 = t2571 * t504; in func_pol()
10743 t4137 = t4136 * t846; in func_pol()
11245 t5472 = t4136 * t432; in func_pol()
11830 t7110 = t4136 * t1517; in func_pol()
13412 t13702 = t4136 * t333; in func_pol()
13440 t13838 = t4136 * t11522; in func_pol()
14309 t18477 = t4136 * t5457 * t155; in func_pol()
14461 t19488 = t4136 * t5457; in func_pol()
[all …]
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| H A D | hyb_mgga_x_pjs18.c | 3625 double t4108, t4115, t4116, t4119, t4122, t4125, t4128, t4136; in func_pol() local
5984 t4136 = t62 * t406; in func_pol()
6220 …1224 * t627 + 0.480e3 * t359 * t1762 + 0.720e3 * t4879 * t319 + 0.288e3 * t4136 * t1616 + 0.288e3 … in func_pol()
6549 …746 * t1609 - 0.960e3 * t571 * t1681 + 0.480e3 * t593 * t1762 + 0.144e3 * t4136 * t2059 + 0.144e3 … in func_pol()
6948 …1286 * t7535 + 0.144e3 * t1286 * t7533 + t396 * t7562 / 0.2e1 + 0.288e3 * t4136 * t2553 + t1276 * … in func_pol()
7675 …9 * t10613 + 0.72e2 * t10771 * t317 + 0.144e3 * t6140 * t3436 + 0.144e3 * t4136 * t3436 + 0.144e3 … in func_pol()
9093 …5410 + 0.144e3 * t1286 * t15400 + 0.432e3 * t4136 * t4804 - 0.2880e4 * t323 * t3965 * t589 + 0.864… in func_pol()
9518 …8777 * t66 + t13815 * t7219 / 0.8e1 + 0.432e3 * t6140 * t7153 + 0.432e3 * t4136 * t7153 + 0.144e3 … in func_pol()
9842 …t22259 = 0.432e3 * t4136 * t7533 + 0.144e3 * t1286 * t22079 + 0.3e1 / 0.2e1 * t1276 * t7562 - 0.9e… in func_pol()
9847 …t22285 = 0.432e3 * t7735 * t3972 + 0.864e3 * t4136 * t7535 + 0.432e3 * t1286 * t22089 + 0.432e3 * … in func_pol()
[all …]
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| H A D | mgga_x_sa_tpss.c | 3934 double t4129, t4133, t4136, t4137, t4138, t4140, t4142, t4143; in func_ferr() local
5602 t4136 = t229 * t1709; in func_ferr()
5604 t4138 = t4136 * t4137; in func_ferr()
5723 t4424 = t4136 * t4423; in func_ferr()
5824 t4700 = t4136 * t4652; in func_ferr()
7589 double t4133, t4136, t4139, t4153, t4157, t4161, t4162, t4171; in func_pol() local
10050 t4136 = t503 * t1442; in func_pol()
10763 t6267 = t4136 * t161; in func_pol()
13453 …2 / 0.129600e6 * t13021 * t1970 + 0.73e2 / 0.64800e5 * t4136 * t5525 + 0.73e2 / 0.129600e6 * t4136… in func_pol()
14408 t22033 = t4136 * sigma[2]; in func_pol()
[all …]
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| H A D | mgga_x_m11.c | 144 double t4115, t4118, t4121, t4124, t4127, t4130, t4133, t4136; in func_unpol() local
1195 t4136 = t273 * t124; in func_unpol()
1200 …130 * t3589 + 0.400000e6 / 0.9e1 * t4133 * t3589 + 0.1600000e7 / 0.27e2 * t4136 * t3589 + 0.700000… in func_unpol()
1252 … t4130 * t4617 - 0.80000e5 / 0.3e1 * t4133 * t4617 - 0.320000e6 / 0.9e1 * t4136 * t4617 - 0.140000… in func_unpol()
1285 …/ 0.3e1 * t4130 * t5258 + 0.16000e5 * t4133 * t5258 + 0.64000e5 / 0.3e1 * t4136 * t5258 + 0.256000… in func_unpol()
1364 …t5919 - 0.2560e4 * t4130 * t5919 - 0.9600e4 * t4133 * t5919 - 0.12800e5 * t4136 * t5919 - 0.5600e4… in func_unpol()
3032 double t4131, t4132, t4133, t4135, t4136, t4138, t4139, t4140; in func_pol() local
5052 t4136 = 0.9e1 / 0.8e1 * t4135; in func_pol()
5255 …/ 0.2e1 - 0.3e1 / 0.8e1 * t3866 - t4118 + t4121 + t4124 - t4128 - t4132 - t4136 + t4139 - t4681 - … in func_pol()
7457 …8 + 0.3e1 / 0.4e1 * t4120 - t5085 - 0.3e1 * t5089 + 0.3e1 / 0.4e1 * t4123 - t10409 - t4132 - t4136; in func_pol()
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| H A D | mgga_x_mggac.c | 14900 t4136 = t453 * t4135; in func_ferr()
14901 t4137 = t789 * t4136; in func_ferr()
15062 t4565 = t162 * t4136; in func_ferr()
15308 t5186 = t990 * t4136; in func_ferr()
18430 t17361 = t2869 * t4136; in func_ferr()
19229 t21649 = t3369 * t4136; in func_ferr()
20280 t28704 = t4095 * t4136; in func_ferr()
30830 t4136 = t3609 * t229; in func_pol()
36097 t11352 = t4136 * t74; in func_pol()
36411 t11846 = t4136 * t73; in func_pol()
[all …]
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| H A D | mgga_c_scanl.c | 15880 t4143 = t789 * t4136; in func_pol()
15884 t4165 = -t4136; in func_pol()
20492 t15273 = t2310 * t4136; in func_pol()
20494 t15279 = t2319 * t4136; in func_pol()
21915 t19329 = t2995 * t4136; in func_pol()
21935 t19450 = t284 * t4136; in func_pol()
30827 t59997 = t7693 * t4136; in func_pol()
30849 t60107 = t7701 * t4136; in func_pol()
34548 t82583 = t286 * t4136; in func_pol()
34689 t83575 = t3047 * t4136; in func_pol()
[all …]
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| H A D | mgga_x_mvs.c | 2059 double t4113, t4114, t4119, t4122, t4123, t4124, t4136, t4138; in func_pol() local
4703 t4136 = t1190 * t17; in func_pol()
4704 t4138 = t8 * t4136 * t114; in func_pol()
4714 t4173 = t8 * t4136 * t1017; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_2.c | 892 double t4121, t4125, t4127, t4130, t4133, t4135, t4136, t4141; in func_pol() local
2319 …t4136 = -t4096 - t4098 - t4101 + t4104 - t4107 - t4109 + t4117 + t4121 - t4125 - t4127 - t4130 + t… in func_pol()
2320 t4141 = (t3636 + t3659 + t3684 + t3705 + t3751 + t4011 + t4093 + t4136) * t63 * t68; in func_pol()
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| H A D | lda_xc_ksdt.c | 6002 t4137 = t780 * t4136; in func_pol()
9245 t11780 = t2002 * t4136; in func_pol()
9276 t11911 = t1678 * t1680 * t4136; in func_pol()
9956 t13751 = t376 * t4136; in func_pol()
14577 t31060 = t1679 * t4136; in func_pol()
14964 t32876 = t1678 * t5021 * t4136; in func_pol()
15053 t33378 = t4136 * t276; in func_pol()
15078 t33515 = t5483 * t4136; in func_pol()
16699 t42890 = t125 * t4136; in func_pol()
17701 t51618 = t4136 * t4136; in func_pol()
[all …]
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