| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_pbe.c | 1602 double t4552, t4556, t4559, t4573, t4576, t4577, t4580, t4584; in func_pol() local
4177 …t4585 = t4538 - t4540 - t4543 - t4545 - t4547 - t4549 + t4552 - t4559 + t4573 + t4576 + t4580 + t4… in func_pol()
4342 …48 + t4533 + t4538 - t4540 - t4543 - t4545 - t4547 - t4549 + t4552 - t4559 + t4573 + t4576 + t4580; in func_pol()
4428 … * t506 + 0.18e2 * t1925 * t788 + 0.18e2 * t1925 * t926 - t4543 - t4559 + t4573 + t4576 + t4580 - … in func_pol()
4440 …- t5520 + t5529 + t4538 - t5530 - t4543 - t5532 - t5533 + t5534 - t4559 + t4573 + t4576 + t4580 - … in func_pol()
4674 …t6614 = 0.6e1 * t240 * t2513 * t320 + t4538 - t4543 - t4559 + t4573 + t4576 + t4580 - t6604 - t660… in func_pol()
4719 …- t6592 - t6595 + t6602 + t4538 - t6604 - t4543 - t6605 - t6606 - t4559 + t4573 + t4576 + t4580 + … in func_pol()
4867 …t7770 = -0.9e1 * t2345 * t2430 * t246 - t4543 - t4559 + t4573 + t4576 + t4580 + t5533 - t5534 - t7… in func_pol()
4924 …20 - t7758 + t7761 + t4538 - t7762 - t4543 - t7764 + t5533 - t5534 - t4559 + t4573 + t4576 + t4580; in func_pol()
4999 … 0.72e2 * t2439 * t7846 + t4538 - t4543 + t4547 + t4549 + t4552 - t4559 + t4573 + t4576 + t4580 + … in func_pol()
[all …]
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| H A D | gga_c_op_b88.c | 860 double t4566, t4570, t4573, t4574, t4575, t4579, t4588, t4606; in func_pol() local
2914 t4573 = 0.1e1 / t1048 / t79; in func_pol()
2915 t4574 = t69 * t4573; in func_pol()
2965 …5000000000000e0 * t370 * t423 * t1220 - 0.60000000000000000000e1 * t434 * t4573 * t201 * t1051 + 0… in func_pol()
3067 …0000000000000e1 * t434 * t1375 * t547 - 0.60000000000000000000e1 * t434 * t4573 * t1660 * t146 - 0… in func_pol()
3170 t6052 = t4573 * t242; in func_pol()
3279 t6750 = t4573 * t274; in func_pol()
3826 t10696 = t4573 * t895; in func_pol()
3983 t11511 = t4573 * t1019; in func_pol()
4479 t15477 = t4573 * t3872; in func_pol()
[all …]
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| H A D | gga_x_ft97.c | 1093 double t4430, t4461, t4496, t4505, t4517, t4551, t4558, t4573; in func_pol() local
2651 t4573 = -0.24e2 * params->beta1 * t1848 + 0.24e2 * t55 / t1847 / t56; in func_pol()
2652 … t67 * t734 * t1851 + 0.72e2 * t254 * t70 * t1851 + 0.18e2 * t67 * t262 * t4573 - 0.270e3 * t500 /… in func_pol()
2655 … / 0.3e1 * t255 * t1874 + 0.2e1 * t1681 * t1682 * t4223 + 0.2e1 / 0.9e1 * t4573 * sigma[2] * t65 *… in func_pol()
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| H A D | gga_c_q2d.c | 8514 t4573 = 0.1e1 / t4572; in func_pol()
8516 t4575 = t4573 * t4574; in func_pol()
9496 t6591 = t4573 * t2160; in func_pol()
9782 t7194 = t4573 * t7193; in func_pol()
10207 t7931 = t773 * t4573; in func_pol()
11958 t10690 = t3057 * t4573; in func_pol()
12921 t12155 = t4573 * t1145; in func_pol()
14632 t17702 = t156 * t4573; in func_pol()
16044 t26127 = t2429 * t4573; in func_pol()
16049 t26159 = t4573 * t422; in func_pol()
[all …]
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| H A D | gga_x_ncap.c | 2312 double t4570, t4573, t4576, t4579, t4583, t4613, t4635, t4642; in func_pol() local
4154 t4573 = t7 * t369 * t1911; in func_pol()
4158 …t4613 = -t4567 / 0.2e1 + t4570 / 0.27e2 - t4573 / 0.6e1 - t4576 / 0.6e1 + t4579 / 0.27e2 + t3873 +… in func_pol()
4172 …1 * t4560 - 0.2e1 / 0.3e1 * t4563 - 0.2e1 * t4567 + 0.4e1 / 0.27e2 * t4570 - 0.2e1 / 0.3e1 * t4573; in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2080 double t4569, t4572, t4573, t4576, t4577, t4581, t4584, t4587; in func_pol() local
4659 t4573 = t4362 * t4572; in func_pol()
4681 …t4616 = -t4569 / 0.1536e4 - t4359 - t4573 / 0.384e3 - t4577 / 0.1536e4 - 0.4e1 * t4373 * t1459 + 0… in func_pol()
4699 …t4669 = -t4569 / 0.768e3 - t4451 - t4573 / 0.192e3 - t4577 / 0.768e3 - 0.2e1 * t4638 * t496 + 0.4e… in func_pol()
4715 …t4716 = -t4569 / 0.384e3 - t4516 - t4573 / 0.96e2 - t4577 / 0.384e3 - 0.4e1 * t1529 * t1484 + 0.4e… in func_pol()
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| H A D | gga_c_op_g96.c | 819 double t4571, t4573, t4575, t4580, t4581, t4584, t4585, t4586; in func_pol() local
3031 t4573 = t3 * t1130 * t64; in func_pol()
3041 …0000000000e2 * t4250 - t4567 - t4569 + t4571 - 0.15000000000000000000e1 * t4573 - 0.25000000000000… in func_pol()
3105 …t4984 = 0.71925706400000000000e1 * t4570 - 0.10000000000000000000e1 * t4573 + 0.200000000000000000… in func_pol()
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| H A D | gga_c_gapc.c | 279 double t4573, t4576, t4583, t4586, t4588, t4593, t4600, t4601; in func_unpol() local
2506 t4573 = t1696 * t1757; in func_unpol()
3797 …799993378040664e-6 * t13533 * t1741 - 0.26590083654084936758e-5 * t5026 * t4573 + 0.14772268696713… in func_unpol()
3942 …e-7 * t257 * t566 * t15356 * t12771 - 0.42206481990611010728e-7 * t5547 * t4573 - 0.20634280084298… in func_unpol()
3967 …741 - 0.45020247456651744776e-7 * t1684 * t259 * t4569 + 0.80192315782160920384e-6 * t5609 * t4573; in func_unpol()
4321 double t4573, t4576, t4577, t4583, t4586, t4591, t4592, t4595; in func_ferr() local
6580 …t4573 = 0.13223005600935593016e-4 * t4415 * t1570 + 0.20879020566524818640e-5 * t4524 * t4386 - 0.… in func_ferr()
6581 t4576 = t4307 + t4337 + t4384 + t4422 + t4456 + t4492 + t4520 + t4573; in func_ferr()
8574 double t4557, t4560, t4565, t4569, t4570, t4573, t4576, t4577; in func_pol() local
12503 …t4573 = 0.51331241000000000000e-3 * t1411 * t1412 * t4531 + 0.16454229302550000000e-3 * t1374 * t4… in func_pol()
[all …]
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| H A D | gga_c_zpbeint.c | 2004 double t4558, t4562, t4564, t4568, t4572, t4573, t4576, t4578; in func_pol() local
5141 t4573 = t1357 * t4572; in func_pol()
5143 …* t4545 + t1351 * t4558 + t1351 * t4562 + 0.2e1 * t1351 * t4568 + t1351 * t4573 + t1485 * t3903 - … in func_pol()
7876 … t1485 - 0.2e1 * t14194 * t363 + 0.2e1 * t13243 * t1402 + 0.2e1 * t3903 * t4573 - 0.2e1 * t1348 * … in func_pol()
8082 …1 * t1357 * t4516 * t410 * t128 + 0.2e1 * t4346 * t4558 + 0.2e1 * t4346 * t4573 + 0.24e2 * t1351 *… in func_pol()
8846 …8925 + t18926 + t18944 + t18973 + 0.4e1 * t5090 * t4558 + 0.4e1 * t5090 * t4573 - 0.4e1 * t5166 * … in func_pol()
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| H A D | gga_x_wpbeh.c | 18277 t4573 = t103 * t1480; in func_pol()
18278 t4574 = t4573 * t711; in func_pol()
18297 t4619 = t4573 * t714; in func_pol()
18827 t6207 = t4573 * t1477; in func_pol()
22370 t16590 = t4573 * t3236; in func_pol()
22377 t16629 = t4573 * t3239; in func_pol()
22448 t16877 = t4573 * t3279; in func_pol()
22520 t17222 = t4573 * t3611; in func_pol()
22839 t18198 = t4573 * t4532; in func_pol()
22896 t18434 = t4573 * t4570; in func_pol()
[all …]
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| H A D | gga_xc_b97.c | 1847 double t4565, t4567, t4569, t4571, t4573, t4575, t4577, t4578; in func_pol() local
4669 t4573 = t4148 * t779; in func_pol()
4684 …1 * t4569 + 0.50000000000000000001e0 * t4571 + 0.10000000000000000000e1 * t4573 + 0.10000000000000… in func_pol()
6959 …1 * t4569 + 0.15000000000000000000e1 * t4571 + 0.30000000000000000000e1 * t4573 + 0.30000000000000… in func_pol()
7428 …1 * t4569 + 0.10000000000000000000e1 * t4571 + 0.20000000000000000000e1 * t4573 + 0.20000000000000… in func_pol()
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| H A D | gga_c_bmk.c | 1492 double t4560, t4563, t4564, t4566, t4567, t4569, t4570, t4573; in func_pol() local
4079 t4573 = t1078 * t4559; in func_pol()
4080 t4574 = t168 * t4573; in func_pol()
5971 t11705 = t429 * t4573; in func_pol()
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| H A D | gga_c_optc.c | 2443 double t4564, t4565, t4566, t4568, t4569, t4570, t4572, t4573; in func_pol() local
6411 t4573 = t121 * t4572; in func_pol()
6412 t4574 = t4573 * t133; in func_pol()
10683 t15556 = t4573 * t556; in func_pol()
11009 t16414 = t4573 * t1054; in func_pol()
18267 t52344 = t4573 * t1741; in func_pol()
18269 t52348 = t4573 * t1737; in func_pol()
18687 t54244 = t4573 * t2878; in func_pol()
19194 t56815 = t4573 * t3918; in func_pol()
19195 t56817 = t4573 * t3914; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_tpssloc.c | 4179 double t4566, t4567, t4570, t4571, t4572, t4573, t4577, t4581; in func_pol() local
11019 t4573 = t1380 * t4572; in func_pol()
16302 t17461 = t17460 * t4573; in func_pol()
27574 t66086 = t66085 * t4573; in func_pol()
27617 t66350 = t66349 * t4573; in func_pol()
27635 t66424 = t66423 * t4573; in func_pol()
27674 …6e1 * t5116 * t62710 + t5133 * t62696 / 0.3e1 + 0.2e1 * t66641 * t4573 + t66645 * t4573 + 0.2e1 * … in func_pol()
27867 …9381 * t16460 + 0.2e1 / 0.3e1 * t67938 * t4573 + 0.2e1 / 0.3e1 * t67942 * t4573 + 0.2e1 / 0.3e1 * … in func_pol()
28838 …6608 - t72143 + 0.2e1 / 0.3e1 * t72144 * t4573 + 0.2e1 / 0.3e1 * t72147 * t4573 + 0.2e1 / 0.3e1 * … in func_pol()
28968 t72782 = 0.32e2 / 0.9e1 * t72780 * t4573; in func_pol()
[all …]
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| H A D | mgga_x_m08.c | 2825 double t4573, t4582, t4583, t4596, t4621, t4624, t4626, t4632; in func_pol() local
4585 t4573 = t4572 * t942; in func_pol()
4588 …t4573 - 0.2500e4 / 0.3e1 * t1096 * t4518 - 0.1250e4 * t322 * t4522 - 0.500e3 / 0.3e1 * t58 * t4518… in func_pol()
4589 ….200e3 / 0.3e1 * t52 * t4573 + 0.60e2 * t1029 * t4508 + 0.180e3 * t308 * t4583 - 0.150e3 * t1029 *… in func_pol()
4599 …t4512 + 0.60e2 * t121 * t4583 - 0.200e3 / 0.3e1 * t121 * t4573 - 0.500e3 / 0.3e1 * t3233 * t4573 -… in func_pol()
4600 …800e4 / 0.3e1 * t133 * t4495 + 0.420e3 * t1224 * t4442 - 0.300e3 * t392 * t4573 + 0.120e3 * t124 *… in func_pol()
4601 …20e3 * t397 * t4557 - 0.200e3 / 0.3e1 * t3176 * t4512 - 0.400e3 * t1198 * t4573 - 0.2000e4 / 0.3e1… in func_pol()
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| H A D | mgga_c_scanl.c | 257 double t4557, t4560, t4567, t4570, t4573, t4576, t4580, t4583; in func_unpol() local
2524 t4573 = t1578 * t328; in func_unpol()
4265 …t4573 * t2217 + 0.90330597678095682346e-1 * t13809 * t2737 - 0.21958039749871030452e0 * t3033 * t3… in func_unpol()
4882 …t4573 * t2720 - 0.19594476351194912734e0 * t4573 * t2724 + 0.45165298839047841173e-1 * t13809 * t3… in func_unpol()
5053 … + 0.52455980750256876982e0 * t4573 * t3195 + 0.29391714526792369101e0 * t19598 * t2737 + 0.382538… in func_unpol()
5055 …02e0 * t9459 * t19604 - 0.75919974291285761083e-1 * t4573 * t3211 - 0.58783429053584738202e0 * t45… in func_unpol()
5383 …02e0 * t9459 * t22843 - 0.75919974291285761083e-1 * t4573 * t4094 - 0.58783429053584738202e0 * t45… in func_unpol()
11210 double t4568, t4571, t4572, t4573, t4574, t4575, t4576, t4577; in func_pol() local
16130 t4573 = t449 * t4572; in func_pol()
16131 t4574 = 0.10254018858216406658e4 * t4573; in func_pol()
[all …]
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| H A D | mgga_c_scan.c | 3714 double t4562, t4573, t4576, t4579, t4582, t4585, t4590, t4594; in func_pol() local
7710 t4573 = t182 * t1480; in func_pol()
8550 t6129 = t171 * t4573; in func_pol()
14047 t20956 = t20955 * t4573; in func_pol()
14803 t23790 = t431 * t4573 * t423; in func_pol()
14815 t23868 = t171 * t4573 * t405; in func_pol()
14884 t24524 = t171 * t4573 * t409; in func_pol()
14955 t25187 = t171 * t4573 * t532; in func_pol()
14964 t25241 = t431 * t4573 * t551; in func_pol()
15027 t26035 = t171 * t4573 * t542; in func_pol()
[all …]
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| H A D | mgga_x_vt84.c | 226 double t4538, t4545, t4546, t4547, t4562, t4569, t4573, t4578; in func_unpol() local
2057 t4573 = t1504 * t97; in func_unpol()
2241 …01 + 0.85079334025680275122e0 * t1810 * t467 + 0.69610364202829316009e0 * t4573 * t1807 * t175 - 0… in func_unpol()
2243 …9 - 0.42539667012840137562e0 * t795 * t5754 - 0.87012955253536645014e-1 * t4573 * t10 * t311 * t39… in func_unpol()
2460 …5468969822850959113e0 * t1509 * t2618 * t175 + 0.46406909468552877340e0 * t4573 * t2595 * t175 - 0… in func_unpol()
2786 ….23203454734276438670e0 * t4573 * t3600 * t34 * t214 - 0.20e2 / 0.9e1 * t1505 * t1026 * t689 - 0.2… in func_unpol()
3480 double t4533, t4535, t4551, t4561, t4564, t4572, t4573, t4574; in func_ferr() local
5237 t4573 = t97 * t4572; in func_ferr()
5250 …t4651 = 0.24e2 * t1563 * t533 - 0.4e1 * t4561 * t217 + 0.24e2 * t95 * t4573 * t4574 + 0.6e1 * t482… in func_ferr()
6332 …19 - 0.4e1 * t290 * t3549 - 0.12e2 * t313 * t319 * t1005 + 0.24e2 * t95 * t4573 * t13596 - 0.6e1 *… in func_ferr()
[all …]
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| H A D | hyb_mgga_x_js18.c | 8661 double t4558, t4559, t4562, t4565, t4566, t4573, t4580, t4583; in func_pol() local
11883 t4573 = t1928 * t4554; in func_pol()
11885 …70 - 0.10531842222222222222e-1 * t1462 * t630 + 0.98e2 / 0.405e3 * t579 * t4573 - t1900 * t1372 / … in func_pol()
14617 …111111e-1 * t1462 * t1884 + 0.196e3 / 0.405e3 * t2068 * t4573 + 0.196e3 / 0.405e3 * t2071 * t4573 … in func_pol()
14820 …0 - 0.10531842222222222222e-1 * t5080 * t630 + 0.98e2 / 0.405e3 * t2904 * t4573 + 0.6e1 / 0.25e2 *… in func_pol()
15641 …452676e-1 * t4504 * t4573 - 0.392e3 / 0.675e3 * t579 * t18375 + 0.196e3 / 0.405e3 * t579 * t18378 … in func_pol()
19845 …t4573 - 0.392e3 / 0.225e3 * t2068 * t14008 + 0.98e2 / 0.135e3 * t7569 * t4573 + 0.196e3 / 0.135e3 … in func_pol()
19992 …t4573 + 0.14744579111111111111e-1 * t1031 * t13726 + 0.10234655004115226338e-1 * t14831 * t1929 - … in func_pol()
20423 …- 0.10531842222222222222e-1 * t3681 * t4566 + 0.98e2 / 0.405e3 * t11313 * t4573 + 0.28084912592592… in func_pol()
21324 …623 * t18511 - 0.10916965337722908094e0 * t13743 * t4573 + 0.40938620016460905352e-1 * t13746 * t4… in func_pol()
[all …]
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| H A D | mgga_xc_b98.c | 4881 t4573 = t1068 * t4473; in func_ferr()
9754 t4573 = t1172 * t111; in func_pol()
9755 t4575 = t8 * t4573 * t1175; in func_pol()
10844 t6922 = t8 * t4573 * t2190; in func_pol()
15942 t17048 = t8 * t4573 * t5038; in func_pol()
16809 t22817 = t8 * t4573 * t7152; in func_pol()
17381 t27382 = t8 * t4573 * t8148; in func_pol()
17578 t28701 = t8 * t4573 * t8685; in func_pol()
17844 t30550 = t8 * t4573 * t9104; in func_pol()
18021 t31396 = t8 * t4573 * t9528; in func_pol()
[all …]
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| H A D | mgga_c_pkzb.c | 2727 double t4563, t4566, t4567, t4570, t4573, t4576, t4580, t4583; in func_pol() local
7013 …t4573 = 0.9e1 * t1464 * t493 - 0.36e2 * t490 * t1469 + 0.9e1 * t490 * t1472 + 0.60e2 * t151 * t456… in func_pol()
7014 t4576 = t488 * t51 * t4573 * t155; in func_pol()
7066 …534796e1 * t484 * t4684 * t155 - 0.65854491829355115987e0 * t484 * t174 * t4573 * t155 - 0.1975634… in func_pol()
13391 t18090 = t4645 * t4573; in func_pol()
13398 t18127 = t4573 * t496 * t155; in func_pol()
13426 t18237 = t4573 * t155; in func_pol()
13437 …078039045227836e2 * t4586 * t18299 * t4588 - 0.26341796731742046395e1 * t484 * t516 * t4573 * t155; in func_pol()
13650 t19074 = t2169 * t4573; in func_pol()
13655 … t2161 * t1475 * t155 + 0.85748036236139473944e-3 * t1319 * t170 * t819 * t4573 * t155 + 0.1800708… in func_pol()
[all …]
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| H A D | mgga_x_rtpss.c | 1589 double t4525, t4530, t4539, t4545, t4549, t4559, t4567, t4573; in func_ferr() local
2754 t4573 = t833 * t2073; in func_ferr()
2757 … * t4567 * t1718 * t1731 - t1018 * t2078 / 0.2e1 - 0.9e1 / 0.8e1 * t565 * t4573 * t2077 * t629 - t… in func_ferr()
2815 … * t1985 + 0.9e1 / 0.8e1 * t4567 * t1718 * t1997 - 0.9e1 / 0.8e1 * t565 * t4573 * t2077 * t767 + 0… in func_ferr()
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| H A D | mgga_c_revscan.c | 209 double t4541, t4549, t4552, t4561, t4573, t4590, t4597, t4601; in func_unpol() local
1783 t4573 = t77 * t574; in func_unpol()
1786 …t4573 - 0.66934509195437693765e-4 * t801 * t252 * t4573 - 0.89257168012116164640e-4 * t937 * t592 … in func_unpol()
4047 double t4570, t4571, t4572, t4573, t4574, t4575, t4576, t4577; in func_pol() local
8579 t4573 = 0.20e2 * t4572; in func_pol()
8597 …t4591 = t4573 + t4575 - t4577 + t3282 - t3288 - t4579 - t4582 - t4584 + t3610 + t4585 + t3616 - t4… in func_pol()
8783 …t5039 = t5031 - t4570 - t4573 - t4575 + t4577 - 0.2363e1 * t3516 - t5035 - t3282 + t3288 - 0.4726e… in func_pol()
8866 t5284 = -t3484 + t3503 + t3260 - t3263 - t3267 - t3508 - t4568 - t5031 + t4570 + t5283 + t4573; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x_erf.c | 571 double t4522, t4526, t4541, t4545, t4547, t4556, t4559, t4573; in func_pol() local
2261 t4573 = t174 * t1602 * t1620; in func_pol()
2264 …74 * t177 * t496 * t397 - t174 * t182 * t4508 / 0.3e1 + 0.40e2 / 0.81e2 * t4573 + 0.40e2 / 0.81e2 … in func_pol()
2541 …e2 + 0.20e2 / 0.81e2 * t4556 - 0.2e1 / 0.27e2 * t4559 + 0.10e2 / 0.81e2 * t4573 + 0.10e2 / 0.81e2 … in func_pol()
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| H A D | lda_xc_bn05.c | 971 double t4548, t4564, t4565, t4569, t4573, t4583, t4584, t4596; in func_pol() local
2980 t4573 = t3525 * t1205; in func_pol()
2981 …t4583 = t4531 + t4565 + t661 * t4573 / 0.9e1 + t3597 / 0.9e1 + 0.10e2 / 0.81e2 * t3600 - 0.2e1 / 0… in func_pol()
4242 t11432 = t2123 * t4573; in func_pol()
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