| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_lv_rpw86.c | 1100 double t4317, t4320, t4339, t4345, t4372, t4392, t4404, t4407; in func_pol() local
2604 t4404 = t80 * t242; in func_pol()
2608 …t4404 * t224 + 0.38818245400525142432e-7 * t4407 * t1224 + 0.17630217258912079095e-10 * t242 * t98… in func_pol()
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| H A D | gga_xc_th3.c | 619 double t4366, t4380, t4390, t4392, t4398, t4400, t4402, t4404; in func_pol() local
2069 t4404 = t293 * t1951; in func_pol()
2087 …0.78848e5 / 0.81e2 * t4400 + 0.2816e4 / 0.9e1 * t4402 - 0.512e3 / 0.9e1 * t4404 + 0.16e2 / 0.3e1 *… in func_pol()
2090 …0.39424e5 / 0.81e2 * t4400 + 0.1408e4 / 0.9e1 * t4402 - 0.256e3 / 0.9e1 * t4404 + 0.8e1 / 0.3e1 * … in func_pol()
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| H A D | gga_x_am05.c | 1765 double t4394, t4397, t4401, t4404, t4408, t4409, t4411, t4431; in func_pol() local
3440 t4404 = t307 * t332 * t18 * t23; in func_pol()
3444 …t2220 * t4394 / 0.9e1 - t2216 * t4397 / 0.9e1 - 0.2e1 / 0.243e3 * t4401 * t4404 + 0.2e1 / 0.243e3 … in func_pol()
3575 …397 / 0.96e2 - t2585 * t4394 / 0.96e2 - t5238 * t4411 / 0.432e3 + t5242 * t4404 / 0.432e3 - t4401 … in func_pol()
3701 …4 * t950 * t108 * t6040 * t995 / 0.9e1 + t2593 * t5216 / 0.72e2 - t6139 * t4404 / 0.1728e4 + t2686… in func_pol()
3801 …11 / 0.9216e4 + t2593 * t6110 / 0.96e2 - t2585 * t6009 / 0.96e2 + t6639 * t4404 / 0.9216e4 - t112 … in func_pol()
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| H A D | gga_x_q2d.c | 1183 double t4359, t4390, t4399, t4402, t4404, t4407, t4409, t4418; in func_pol() local
3208 t4404 = t7 * t361 * t676; in func_pol()
3221 …t4536 = -t4402 + t4404 / 0.4e1 - 0.3e1 / 0.8e1 * t4407 - 0.3e1 / 0.8e1 * t7 * t17 * (t4448 + t4492… in func_pol()
3283 …t4841 = -t7 * t1222 * t289 / 0.2e1 - t4402 + t4404 / 0.6e1 - t4407 / 0.8e1 - t1280 * t1854 * t191 … in func_pol()
3348 …t5196 = -t4797 + t9 * (-t4402 + t4404 / 0.12e2 + t1280 * t1854 * t68 * t539 * t135 / 0.4608e4 - t3… in func_pol()
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| H A D | gga_x_n12.c | 1176 double t4396, t4404, t4412, t4419, t4430, t4435, t4436, t4439; in func_pol() local
2828 t4404 = t692 * t2000; in func_pol()
2831 …888888e0 * t2391 * t2000 * t696 * t706 - 0.31999999999999999999e1 * t71 * t4404 * t4396 + 0.319999… in func_pol()
3261 …888888888888e0 * t2391 * t2496 * t1094 - 0.31999999999999999999e1 * t71 * t4404 * t7353 + 0.319999… in func_pol()
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| H A D | gga_c_zpbeint.c | 1993 double t4404, t4406, t4407, t4408, t4410, t4411, t4412, t4414; in func_pol() local
5045 t4404 = t463 * t130 * t4334; in func_pol()
5046 …401 + t1450 * t3903 - 0.2e1 * t3916 * t4373 - 0.2e1 * t4377 * t4380 + t4377 * t4392 - t4404 * t461; in func_pol()
7642 …t13416 = 0.2e1 * t13355 * t4392 - 0.6e1 * t4346 * t3912 - 0.2e1 * t1348 * t4404 + t1351 * t1357 * … in func_pol()
7938 … * t1351 * t1352 * t4626 * t362 + 0.2e1 * t1345 * t3288 - 0.2e1 * t1442 * t4404 + 0.4e1 * t4346 * … in func_pol()
8689 …715 * t4372 - 0.4e1 * t4964 * t18128 + t18133 / 0.384e3 - 0.4e1 * t4956 * t4404 - 0.4e1 * t457 * t… in func_pol()
8786 … 0.4e1 * t4400 * t4552 * t5105 + 0.2e1 * t17251 * t1450 - 0.2e1 * t1569 * t4404 + 0.2e1 * t5090 * … in func_pol()
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| H A D | gga_c_op_pbe.c | 863 double t4377, t4379, t4381, t4383, t4387, t4391, t4396, t4404; in func_pol() local
2989 t4404 = t443 * t1241; in func_pol()
2991 …36192584600000000000e1 * t334 * t3786 * t423 + 0.72385169200000000000e1 * t4404 + 0.15000000000000… in func_pol()
3064 …72 * t107 - 0.54288876900000000000e1 * t4396 + 0.10857775380000000000e2 * t4404 + 0.50000000000000… in func_pol()
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| H A D | gga_c_op_b88.c | 854 double t4362, t4367, t4374, t4382, t4386, t4397, t4399, t4404; in func_pol() local
2871 t4404 = t278 * t305; in func_pol()
2872 …2 * t4397 - 0.21606922800000000000e2 * t94 * t139 * t4399 * t80 - 0.43213845600000000000e2 * t4404; in func_pol()
2924 …2 * t4258 + 0.10803461400000000000e2 * t4397 - 0.10803461400000000000e2 * t4404 - 0.30000000000000… in func_pol()
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| H A D | gga_c_scan_e0.c | 1618 double t4404, t4407, t4410, t4412, t4413, t4415, t4418, t4420; in func_pol() local
4199 t4404 = t627 * t1769 * t4402; in func_pol()
4202 …0 * t4396 + 0.11708928647259339622e0 * t4400 + 0.11708928647259339622e0 * t4404 - 0.58544643236296… in func_pol()
4631 …* t4396 + 0.29272321618148349056e-1 * t4400 + 0.29272321618148349056e-1 * t4404 - 0.14636160809074… in func_pol()
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| H A D | gga_x_gg99.c | 1849 double t4395, t4399, t4404, t4412, t4427, t4431, t4472, t4503; in func_ferr() local
3073 …t4404 = 0.24e2 * t72 * t4341 * t168 + 0.576e3 * t4394 * t4395 * t426 + 0.384e3 * t3606 * t1185 - 0… in func_ferr()
3075 …* t4 * t1697 * t89 + 0.4e1 / 0.81e2 * t1200 * t233 * t89 - t93 * (t4372 + t4404) * t89 / 0.6e1 - 0… in func_ferr()
3672 double t4396, t4398, t4399, t4400, t4402, t4403, t4404, t4405; in func_pol() local
6613 t4404 = 0.2e1 / 0.9e1 * t4403; in func_pol()
6614 …77 + t4381 - t4382 - t4383 + t4384 - t4385 - t4388 + t4390 - t4392 - t4394 + t4396 + t4400 + t4404; in func_pol()
8685 t13093 = t4404 - t4408 - t4412 - t4416 - t4418 - t4420 - t4738 - t4774 + t4777 - t4779 + t4783; in func_pol()
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| H A D | gga_c_pw91.c | 2025 double t4397, t4398, t4403, t4404, t4407, t4408, t4410, t4411; in func_pol() local
4948 t4404 = t1240 * t4403; in func_pol()
4977 …4 - 0.76065163035651631229e0 * t3876 + 0.16299677793353920977e0 * t1239 * t4404 - 0.27166129655589… in func_pol()
7587 t12399 = t3143 * t4404; in func_pol()
8778 t17374 = t5143 * t4404; in func_pol()
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| H A D | gga_x_sfat_pbe.c | 3380 double t4401, t4403, t4404, t4406, t4407, t4408, t4409, t4410; in func_pol() local
5635 t4404 = t4403 * t121; in func_pol()
5636 t4406 = t7 * t109 * t4404; in func_pol()
7012 t10372 = t7 * t325 * t4404; in func_pol()
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| H A D | gga_xc_b97.c | 1837 double t4401, t4402, t4403, t4404, t4405, t4406, t4407, t4408; in func_pol() local
4588 t4404 = 0.31090000000000000000e-1 * t1916; in func_pol()
4592 t4408 = -t4397 - t4398 - t4399 - t4400 - t4401 - t4402 - t4403 - t4404 - t4405 - t4406 + t4407; in func_pol()
5423 t6419 = -t4398 - t4399 - t4400 - t4401 - t4402 - t4403 - t4404 - t4405 - t4406 + t4407 + t4409; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_m08.c | 2818 double t4387, t4390, t4391, t4396, t4403, t4404, t4411, t4414; in func_pol() local
4534 t4404 = t4403 * t60; in func_pol()
4538 …47 - 0.50e2 / 0.3e1 * t943 * t4404 + 0.20e2 * t1918 * t947 - 0.100e3 / 0.3e1 * t950 * t4404 - 0.50… in func_pol()
4594 … 0.3e1 * t4635 * t4404 + 0.20e2 * t382 * t947 - 0.50e2 / 0.3e1 * t1122 * t4404 + 0.20e2 * t2041 * … in func_pol()
6205 …t4404 + 0.200e3 * t4411 * t11686 + 0.200e3 / 0.3e1 * t62 * t942 * t11686 - 0.560e3 / 0.3e1 * t50 *… in func_pol()
6240 …42 * t11686 - 0.280e3 / 0.3e1 * t382 * t4404 + 0.200e3 / 0.3e1 * t1122 * t11686 - 0.560e3 / 0.3e1 … in func_pol()
6242 …24 * t4441 + 0.7280e4 / 0.9e1 * t1231 * t4527 - 0.280e3 / 0.3e1 * t5748 * t4404 + 0.1040e4 * t1238… in func_pol()
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| H A D | mgga_x_scan.c | 1655 double t4242, t4248, t4281, t4315, t4336, t4371, t4404, t4409; in func_ferr() local
2778 t4404 = t303 * t654; in func_ferr()
2780 …901 - 0.4e1 * t1264 * t1904 - 0.8e1 * t1558 * t1555 - 0.8e1 * t1558 * t1573 - 0.4e1 * t4404 * t566; in func_ferr()
2864 …1775 * t279 + 0.1174e1 * t5274 - 0.48e2 * t3026 * t565 * t1775 - 0.12e2 * t4404 * t711 + 0.36e2 * … in func_ferr()
3251 double t4397, t4398, t4399, t4400, t4401, t4402, t4404, t4405; in func_pol() local
5979 t4404 = t1032 * t1635 * t896; in func_pol()
5980 t4405 = t863 * t4404; in func_pol()
7845 t11746 = t2308 * t4404; in func_pol()
7911 …00000e1 * t863 * t412 * t4225 * t896 - 0.11132775000000000000e2 * t2498 * t4404 - 0.55663875000000… in func_pol()
8377 …2235 * t7806 - 0.18554625000000000000e1 * t3264 * t4408 - 0.16699162500000000000e2 * t3264 * t4404; in func_pol()
[all …]
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| H A D | mgga_xc_cc06.c | 1129 double t4396, t4399, t4402, t4404, t4406, t4423, t4456, t4465; in func_pol() local
3210 t4404 = t229 * t799; in func_pol()
3218 … t1890 * t230 + t232 * t4488 + 0.3e1 * t526 * t799 + 0.3e1 * t4402 + 0.6e1 * t4404 + 0.3e1 * t4406; in func_pol()
3259 …v4rho3lapl[3] = t4402 + 0.2e1 * t4404 + t4406 + t4682 + t4684 + t1409 * t316 + 0.2e1 * t626 * t799… in func_pol()
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| H A D | mgga_x_tpss.c | 168 double t4404, t4418, t4419, t4422, t4435, t4462, t4469, t4484; in func_unpol() local
1443 t4404 = t713 * t713; in func_unpol()
1444 ….8e1 * t635 * t1384 * t1942 * t505 + 0.3e1 / 0.4e1 * t136 * t138 * t364 * t4404 * t492 + 0.3e1 / 0… in func_unpol()
1889 double t4383, t4384, t4389, t4404, t4412, t4417, t4427, t4432; in func_ferr() local
3097 …t4404 = t21 * (t15 * t681 * t136 / 0.2e1 + 0.3e1 / 0.2e1 * t15 * t681) * t32 + 0.2e1 * t21 * t141 … in func_ferr()
3107 … + 0.292e3 / 0.2025e4 * t70 * t4343 - 0.73e2 / 0.97200e5 * t4343 * t86 + (t4404 + t4459) * t35 * t… in func_ferr()
3608 double t4404, t4407, t4408, t4410, t4413, t4415, t4417, t4418; in func_pol() local
5894 t4404 = t3589 * t4403; in func_pol()
5903 …v3rhosigmatau[5] = t4401 + t1485 * t4404 - t4407 - t1485 * t4410 / 0.2e1 + t4415 + t3606 * t4418 /… in func_pol()
7610 t11372 = t3531 * t4404; in func_pol()
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| H A D | mgga_x_rtpss.c | 3090 double t4400, t4401, t4402, t4404, t4415, t4418, t4423, t4426; in func_pol() local
5444 …t4404 = -0.27e2 / 0.128e3 * t4391 + 0.75e2 / 0.1024e4 * t4394 - 0.81e2 / 0.32e2 * t2002 * t4396 + … in func_pol()
5447 …92e3 / 0.675e3 * t490 * t1508 + 0.292e3 / 0.2025e4 * t72 * t4404 - 0.73e2 / 0.97200e5 * t4404 * t8… in func_pol()
7082 t11038 = t4404 * t297; in func_pol()
7083 ….64800e5 * t3503 * t1151 + 0.73e2 / 0.129600e6 * t6918 * t1515 + 0.292e3 / 0.2025e4 * t292 * t4404; in func_pol()
7767 … t473 / 0.6e1 + 0.292e3 / 0.675e3 * t13112 + 0.1168e4 / 0.2025e4 * t490 * t4404 + 0.292e3 / 0.2025… in func_pol()
7890 …t13353 = 0.292e3 / 0.2025e4 * t4404 * t621 + 0.292e3 / 0.675e3 * t1508 * t1653 + 0.292e3 / 0.675e3… in func_pol()
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| H A D | mgga_x_tm.c | 2176 double t4277, t4282, t4293, t4298, t4337, t4370, t4404, t4416; in func_ferr() local
3420 …t4404 = -0.36e2 * t3698 * t580 + 0.162e3 * t3701 * t594 - 0.72e2 * t1181 * t1480 + 0.324e3 * t1166… in func_ferr()
3422 …60 - 0.3e1 / 0.8e1 * t102 * t103 * (t4080 + t4113 + t4208 + t4256 + t4298 + t4337 + t4370 + t4404); in func_ferr()
4210 double t4383, t4388, t4393, t4396, t4401, t4404, t4406, t4408; in func_pol() local
6337 t4404 = t51 * t356; in func_pol()
6352 …t4434 = -0.10073e5 / 0.787320e6 * t4404 - 0.73e2 / 0.3645e4 * t4408 + 0.73e2 / 0.9720e4 * t4412 - … in func_pol()
6363 …968 * t1655 + 0.23432445024904612480e-2 * t4477 * t4451 + 0.89266457237731857067e-2 * t376 * t4404; in func_pol()
8139 …37460732074723200e-2 * t2707 * t1655 + 0.17853291447546371413e-1 * t968 * t4404 - 0.56535422917230… in func_pol()
8396 …0.292e3 / 0.135e3 * t405 * t4917 + 0.146e3 / 0.135e3 * t182 * t13325 - 0.949e3 / 0.32805e5 * t4404; in func_pol()
8714 …t4404 - 0.19983387292181069959e0 * t39 * t9500 * t1643 - 0.17985048562962962963e0 * t495 * t2716 *… in func_pol()
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| H A D | mgga_c_m05.c | 3175 double t4404, t4407, t4410, t4415, t4416, t4418, t4420, t4423; in func_pol() local
6576 t4404 = t449 * t1049; in func_pol()
6579 …3341 - 0.4e1 * t3343 - 0.4e1 * t3345 + t3350 + 0.20000000000000000000e1 * t4404 * t1945 + 0.200000… in func_pol()
10515 …503128080360e4 * t4379 * t1050 * t3812 * t1145 + 0.12000000000000000000e2 * t4404 * t3189 + t11821; in func_pol()
10857 …000000000000000000e1 * t1943 * t4352 * t1145 + 0.30000000000000000000e1 * t4404 * t4384 - 0.482459… in func_pol()
10974 …3 - 0.90000000000000000000e1 * t4410 * t4471 + 0.60000000000000000000e1 * t4404 * t4353 + 0.600000… in func_pol()
11266 …0 + 0.40000000000000000000e1 * t4407 * t5654 + 0.40000000000000000000e1 * t4404 * t5654 + 0.976610… in func_pol()
11279 …t16653 = 0.20000000000000000000e1 * t4404 * t5559 + 0.20000000000000000000e1 * t4407 * t5559 - 0.2… in func_pol()
11340 t17116 = t4404 * t6234; in func_pol()
11715 …000000000000000000e1 * t1943 * t16625 * t678 + 0.30000000000000000000e1 * t4404 * t7011 + 0.300000… in func_pol()
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| H A D | mgga_x_msb.c | 3131 double t4376, t4381, t4393, t4394, t4401, t4404, t4406, t4407; in func_pol() local
5575 t4404 = t1914 * t3886; in func_pol()
5576 t4406 = -t3887 + 0.3e1 / 0.2e1 * t4404; in func_pol()
5589 …t4443 = -0.3e1 / 0.4e1 * t3887 + 0.9e1 / 0.2e1 * t4404 - 0.9e1 / 0.2e1 * t4434 - 0.15e2 * t4437 + … in func_pol()
7422 … t13675 + 0.216e3 * t13679 + 0.900e3 * t13681 - 0.30e2 * t3887 + 0.270e3 * t4404 - 0.540e3 * t4434; in func_pol()
7430 … t3887 + 0.60e2 * t13670 - 0.36e2 * t13672 - 0.240e3 * t13675 + 0.180e3 * t4404 + 0.48e2 * t13679 … in func_pol()
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| H A D | mgga_x_rscan.c | 262 double t4395, t4396, t4397, t4399, t4400, t4402, t4403, t4404; in func_unpol() local
2727 t4404 = t749 * t4403; in func_unpol()
14459 double t4400, t4404, t4407, t4410, t4411, t4414, t4415, t4422; in func_pol() local
18313 t4404 = t263 * t1068 * t267; in func_pol()
18317 …t4414 = t4400 * t267 / 0.100e3 - 0.3e1 / 0.100e3 * t1258 * t4404 - t735 * t4407 / 0.100e3 + t2127 … in func_pol()
22038 …7 / 0.100e3 - 0.3e1 / 0.100e3 * t4400 * t2984 - 0.3e1 / 0.100e3 * t3608 * t4404 - 0.3e1 / 0.100e3 … in func_pol()
22584 …t14815 = t14794 * t267 / 0.100e3 - 0.9e1 / 0.100e3 * t4086 * t4404 - 0.3e1 / 0.100e3 * t14800 * t2… in func_pol()
22929 …t15393 = t15363 * t267 / 0.100e3 - 0.3e1 / 0.50e2 * t4400 * t4404 - 0.3e1 / 0.100e3 * t1258 * t409… in func_pol()
23220 …t15902 = t15874 * t267 / 0.100e3 - 0.3e1 / 0.100e3 * t4634 * t4404 - 0.3e1 / 0.50e2 * t1258 * t158… in func_pol()
31809 … / 0.100e3 + t20412 * t53759 * t267 / 0.100e3 - 0.3e1 / 0.50e2 * t15874 * t4404 - 0.3e1 / 0.100e3 … in func_pol()
[all …]
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| H A D | mgga_x_mvsb.c | 2495 double t4380, t4397, t4404, t4411, t4417, t4418, t4420, t4429; in func_pol() local
5339 t4404 = t581 * t587 * t1430; in func_pol()
5350 …e1 * t4397 + 0.2e1 / 0.3e1 * t1533 * t216 * t583 * t591 - 0.2e1 / 0.3e1 * t4404 - 0.2e1 / 0.3e1 * … in func_pol()
5491 … * t582 / 0.3e1 - t5086 / 0.6e1 - 0.7e1 / 0.6e1 * t5089 - t4397 / 0.6e1 - t4404 / 0.6e1 + t4418 / … in func_pol()
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| H A D | mgga_x_m11.c | 3041 double t4363, t4372, t4374, t4383, t4396, t4401, t4404, t4409; in func_pol() local
5126 t4404 = t456 * t1409; in func_pol()
5134 …500e6 / 0.9e1 * t517 * t4253 + 0.440e3 / 0.27e2 * t101 * t4404 + 0.880e3 / 0.27e2 * t460 * t4404 +… in func_pol()
5157 …t4644 = 0.440e3 / 0.27e2 * t173 * t4404 + 0.880e3 / 0.27e2 * t546 * t4404 + 0.880e3 / 0.27e2 * t17… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_ml1.c | 443 double t4376, t4378, t4383, t4388, t4394, t4404, t4407, t4408; in func_pol() local
2312 t4404 = t497 * t501 * t1437; in func_pol()
2321 …0917954361680865535e1 * t1361 * t165 * t4244 + 0.23639318120560288511e1 * t4404 + 0.97289769353320… in func_pol()
3034 …1 * t4378 + 0.10944128759518652089e0 * t4388 + 0.59098295301400721280e0 * t4404 + 0.97289769353320… in func_pol()
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