| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_pmgb06.c | 5445 t5786 = -t5775; in func_pol()
5641 t6089 = t484 * t5786; in func_pol()
5702 t6182 = t167 * t5786; in func_pol()
5738 t6267 = t168 * t5786; in func_pol()
9101 t14846 = t495 * t5786; in func_pol()
9346 t15420 = 0.2e1 / 0.15e2 * t464 * t157 * t490 * t5786; in func_pol()
9382 t15482 = t1498 * t5786 * t320; in func_pol()
9388 t15496 = t1504 * t5786 * t320; in func_pol()
10825 t19295 = t1912 * t5786; in func_pol()
10841 t19350 = t1917 * t5786; in func_pol()
[all …]
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| H A D | lda_x_erf.c | 599 double t5782, t5785, t5786, t5788, t5791, t5793, t5801, t5805; in func_pol() local
2483 t5786 = 0.4e1 / 0.81e2 * t5785; in func_pol()
2493 …2 / 0.243e3 * t4460 + 0.4e1 / 0.27e2 * t4463 - 0.16e2 / 0.243e3 * t5782 - t5786 + 0.4e1 / 0.27e2 *… in func_pol()
2934 …t8776 = (t4449 - 0.16e2 / 0.243e3 * t4451 - 0.16e2 / 0.81e2 * t5782 - t5786 + 0.8e1 / 0.27e2 * t57… in func_pol()
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| H A D | lda_c_ml1.c | 489 double t5777, t5781, t5783, t5786, t5793, t5797, t5801, t5802; in func_pol() local
2681 t5786 = t277 * t104; in func_pol()
2689 …83 + 0.23639318120560288512e1 * t4625 * t2545 * t5786 + 0.13132954511422382506e1 * t4601 * t2491 *… in func_pol()
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| H A D | lda_c_pk09.c | 2563 double t5786, t5787, t5790, t5792, t5793, t5794, t5795, t5800; in func_pol() local
5291 t5786 = 0.68251820701278360000e-1 * t4888; in func_pol()
5304 …t5837 = -t5784 + 0.14975624337724556833e0 * t5244 - t5786 - t5787 - 0.99837495584830378886e-1 * t5… in func_pol()
6449 …- 0.49918747792415189443e-1 * t9775 - 0.49918747792415189443e-1 * t9777 - t5786 - t5787 - 0.499187… in func_pol()
6908 …+ 0.37002892246025966500e-1 * t13607 - 0.29951248675449113666e0 * t9761 - t5786 - t5787 + 0.149756… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_pbetrans.c | 1393 double t5742, t5746, t5751, t5754, t5786, t5789, t5792, t5797; in func_pol() local
3081 t5786 = t113 * t2074; in func_pol()
3084 …50000000000000000e0 * t1841 * t1842 * t1860 - 0.77437500000000000004e-1 * t5786 * t2116 + 0.464625… in func_pol()
3092 …4531250000000000002e-1 * t310 * t5820 * t35 + 0.77437500000000000004e-1 * t5786 * t2086 + 0.215104… in func_pol()
3093 …325000000000000000e0 * t2085 * t2086 * t226 + 0.77437500000000000004e-1 * t5786 * t2087 - 0.619500… in func_pol()
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| H A D | gga_c_revtca.c | 1381 double t5779, t5782, t5783, t5786, t5788, t5791, t5797, t5798; in func_pol() local
4359 t5786 = 0.57802381962225252261e-1 * t523 * t5783 * t128; in func_pol()
4363 …- t5754 + t5756 + t5760 - t5764 + t5768 + t5772 - t5776 + t5778 + t5782 + t5786 + t5791 - 0.358738… in func_pol()
4666 …t6605 = t5778 + t5782 + t5786 + t5791 - 0.22157579752186346700e0 * t6577 + 0.23120952784890100904e… in func_pol()
4813 …t7138 = t5778 + t5782 + t5786 + t5791 - 0.43351786471668939192e-1 * t6854 - 0.21675893235834469596… in func_pol()
4864 …- t5754 + t5756 + t5760 - t5764 - t5768 - t5772 + t5776 + t5778 + t5782 + t5786 + t5791 + 0.173407… in func_pol()
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| H A D | gga_x_sfat.c | 3215 double t5786, t5789, t5799, t5821, t5823, t5825, t5830, t5831; in func_pol() local
5768 t5786 = 0.5e1 / 0.9e1 * t1956; in func_pol()
5770 …t5799 = -0.3e1 / 0.2e1 * t1949 + t1952 - t5786 - 0.3e1 / 0.2e1 * t2356 - 0.3e1 * t2359 + t2362 - t… in func_pol()
5979 … t6993 + t7029 + t7045) - 0.3e1 / 0.4e1 * t1949 + 0.3e1 / 0.4e1 * t1952 - t5786 - t2357 - 0.3e1 / … in func_pol()
5986 …t7101 = -t1949 / 0.4e1 + t1952 / 0.2e1 - t5786 - t2359 / 0.2e1 + t2362 / 0.2e1 - t2631 / 0.4e1 - t… in func_pol()
6032 …t7458 = t1953 - t5786 + t2363 - 0.3e1 / 0.4e1 * t2631 - 0.3e1 / 0.2e1 * t2634 - 0.3e1 / 0.4e1 * t2… in func_pol()
6171 …t8614 = -t5786 + t9 * (t7763 + t7803 + t7939 + t8596) - 0.3e1 / 0.2e1 * t2631 - 0.3e1 * t2634 - 0.… in func_pol()
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| H A D | gga_c_gaploc.c | 6364 double t5783, t5786, t5789, t5792, t5793, t5797, t5801, t5804; in func_pol() local
10920 t5786 = t1364 * t1845; in func_pol()
15751 …49 * t17910 + 0.57200783922960682672e1 * t5792 * t17914 - 0.21450293971110256002e1 * t5783 * t5786; in func_pol()
15779 …015205779777179201e2 * t2070 * t7890 - 0.21450293971110256002e1 * t5704 * t5786 - 0.57200783922960… in func_pol()
17828 …700853338e0 * t723 * t10109 * t2062 - 0.35750489951850426669e0 * t10284 * t5786 - 0.61348681526273… in func_pol()
17909 …0293971110256002e1 * t2609 * t32243 - 0.35750489951850426669e0 * t10274 * t5786 + 0.11502877786176… in func_pol()
19311 t35727 = 0.35750489951850426669e0 * t11063 * t5786; in func_pol()
19449 …1500979903700853338e0 * t1976 * t3433 * t2062 + t36091 - 0.35750489951850426669e0 * t11278 * t5786; in func_pol()
19557 …50426669e0 * t2057 * t1349 * t36733 - 0.35750489951850426669e0 * t12086 * t5786 + 0.47667319935800… in func_pol()
19561 …700853338e0 * t1976 * t3610 * t2062 - 0.35750489951850426669e0 * t11974 * t5786 + 0.14300195980740… in func_pol()
[all …]
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| H A D | gga_c_zpbeint.c | 2105 double t5770, t5779, t5786, t5787, t5789, t5791, t5792, t5803; in func_pol() local
6013 t5786 = t310 * t313 * t838; in func_pol()
6014 t5787 = t5786 * t810; in func_pol()
6451 t7430 = t5786 * t983; in func_pol()
6462 t7497 = t5786 * t1039; in func_pol()
6469 t7512 = t5786 * t1046; in func_pol()
6924 t9407 = t5786 * t1164; in func_pol()
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| H A D | gga_c_pw91.c | 2109 double t5785, t5786, t5787, t5788, t5790, t5792, t5793, t5795; in func_pol() local
5648 t5786 = t5782 * t5785; in func_pol()
5649 t5787 = 0.625e3 / 0.9e1 * t5786; in func_pol()
5686 t5861 = 0.1250e4 / 0.9e1 * t5786; in func_pol()
5723 t5922 = 0.2500e4 / 0.9e1 * t5786; in func_pol()
9050 …/ 0.9e1 * t5759 + 0.25000e5 / 0.9e1 * t5772 - t18612 + 0.5000e4 / 0.9e1 * t5786 - 0.100e3 / 0.3e1 … in func_pol()
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| H A D | gga_c_hcth_a.c | 1636 double t5771, t5774, t5775, t5778, t5779, t5780, t5786, t5788; in func_pol() local
4702 t5786 = t1636 * t623; in func_pol()
4706 … / 0.96e2 + 0.2e1 * t5778 * t5780 + t4315 * t5779 * t282 / 0.2e1 - t958 * t5786 - t958 * t5788 - t… in func_pol()
7075 …8670955426118384e-2 * t1695 * t5788 - 0.22478670955426118384e-2 * t1695 * t5786 - 0.11239335477713… in func_pol()
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| H A D | gga_c_zvpbeint.c | 2527 double t5781, t5782, t5783, t5784, t5785, t5786, t5787, t5788; in func_pol() local
6625 t5786 = t308 * t5785; in func_pol()
6626 t5787 = 0.3e1 * t5786; in func_pol()
10762 … t19823 - t19824 + t19826 - 0.3e1 / 0.32e2 * t5781 - 0.2e1 * t5784 - t5582 + 0.6e1 * t5786 + t5588; in func_pol()
11204 t23958 = t1384 * t5786; in func_pol()
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| H A D | gga_c_regtpss.c | 2551 double t5786, t5790, t5794, t5810, t5811, t5816, t5819, t5821; in func_pol() local
6041 t5786 = t5785 * t378; in func_pol()
6045 …* t443 - 0.2e1 * t443 * t468 * t5794 - 0.3e1 * t443 * t5555 * t5790 + t443 * t5786 + t5428 - t5554; in func_pol()
9767 t20210 = t90 * t5786; in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 380 t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & local
2508 t5786 = 0.3333333334e0_dp*t165*t689*t668
2633 t5776 + t5780 - t5783 + t5786 + t5789 + t5792 - t5795 - 0.4444444444e0_dp &
2774 *t2081*t6252*t2077 + t5786 + t5789 + t5792 - t5795 - 0.4444444445e0_dp &
3159 t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & local
5284 t5786 = 0.3333333334e0_dp*t165*t689*t668
5409 t5776 + t5780 - t5783 + t5786 + t5789 + t5792 - t5795 - 0.4444444444e0_dp &
5550 *t2081*t6252*t2077 + t5786 + t5789 + t5792 - t5795 - 0.4444444445e0_dp &
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 380 t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & local
2508 t5786 = 0.3333333334e0_dp*t165*t689*t668
2633 t5776 + t5780 - t5783 + t5786 + t5789 + t5792 - t5795 - 0.4444444444e0_dp &
2774 *t2081*t6252*t2077 + t5786 + t5789 + t5792 - t5795 - 0.4444444445e0_dp &
3159 t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & local
5284 t5786 = 0.3333333334e0_dp*t165*t689*t668
5409 t5776 + t5780 - t5783 + t5786 + t5789 + t5792 - t5795 - 0.4444444444e0_dp &
5550 *t2081*t6252*t2077 + t5786 + t5789 + t5792 - t5795 - 0.4444444445e0_dp &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_msb.c | 3166 double t5782, t5786, t5787, t5793, t5795, t5797, t5799, t5801; in func_pol() local
5915 t5786 = 0.1e1 / t85 / t872; in func_pol()
5916 t5787 = t242 * t5786; in func_pol()
5942 t5913 = 0.6160e4 / 0.81e2 * t5885 - 0.2618e4 / 0.81e2 * sigma[2] * t5786; in func_pol()
8125 t15332 = 0.72e2 * t5786 * t270; in func_pol()
8126 t15333 = t5896 * t5786; in func_pol()
8127 t15335 = t5872 * t5786; in func_pol()
8128 …t5786 * t5946 + 0.360e3 * t118 * t5786 * t6008 - 0.2880e4 * t1971 * t280 * t5786 - 0.8064e4 * t198… in func_pol()
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| H A D | mgga_x_tm.c | 2192 double t5759, t5774, t5783, t5786, t5790, t5809, t5817, t5838; in func_ferr() local
3554 t5786 = t29 * t1054; in func_ferr()
3555 …1373 - 0.12577644938271604938e1 * t5783 * t610 + 0.84521773985185185182e-1 * t1913 * t5786 * t1370; in func_ferr()
3708 …59641333333333334e1 * t4250 * t2521 + 0.84521773985185185182e-1 * t1913 * t5786 * t1832 - 0.704348… in func_ferr()
4256 double t5777, t5780, t5783, t5784, t5785, t5786, t5795, t5796; in func_pol() local
6906 t5786 = t1542 * t65; in func_pol()
6907 …65869629629629630e0 * t1356 * t5780 - t5785 - 0.62888224691358024691e-1 * t5786 * t553 - 0.24e2 * … in func_pol()
8814 …5 * t1048 + 0.324e3 * t1068 * t3564 * t4203 + 0.25155289876543209876e-1 * t5786 * t1365 + 0.648e3 … in func_pol()
9613 … * t20158 + 0.972e3 * t1068 * t3564 * t5524 + 0.75465869629629629628e-1 * t5786 * t1735 - 0.1944e4… in func_pol()
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| H A D | mgga_x_tpss.c | 3656 double t5755, t5758, t5763, t5771, t5780, t5782, t5783, t5786; in func_pol() local
6615 t5786 = t1986 * t3663; in func_pol()
6617 …9 * t4881 + 0.3e1 / 0.4096e4 * t2575 * t5783 - 0.27e2 / 0.512e3 * t1012 * t5786 + 0.3e1 / 0.4e1 * … in func_pol()
6624 …992 + 0.478953e6 / 0.50e2 * t2661 * t5783 - 0.17739e5 / 0.100e3 * t1083 * t5786 + 0.73e2 / 0.50e2 … in func_pol()
8649 …4884 - 0.73e2 / 0.97200e5 * t15863 * t208 - 0.17739e5 / 0.100e3 * t2653 * t5786 + 0.73e2 / 0.50e2 … in func_pol()
9272 …0.675e3 * t689 * t5611 + 0.478953e6 / 0.50e2 * t8468 * t5783 - 0.17739e5 / 0.100e3 * t3220 * t5786; in func_pol()
9408 …* t208 - 0.219e3 / 0.100e3 * t4923 * t1992 - 0.17739e5 / 0.25e2 * t3725 * t5786 + 0.146e3 / 0.25e2… in func_pol()
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| H A D | mgga_x_mn12.c | 3768 double t5774, t5776, t5779, t5782, t5785, t5786, t5789, t5792; in func_pol() local
5942 t5786 = t5785 * t5727; in func_pol()
5952 …t5776 + 0.24e-1 * t704 * t5779 - 0.4e-2 * t704 * t5782 - 0.96e-4 * t709 * t5786 + 0.96e-4 * t709 *… in func_pol()
8176 …t5786 + 0.64000000000000000002e-1 * t2316 * t5776 - 0.20480000000000000000e-5 * t2337 * t14903 - 0… in func_pol()
8731 …t1103 * t5782 + 0.96e-4 * t3114 * t5786 - 0.96e-4 * t3114 * t5789 + 0.16e-4 * t3114 * t5792 - 0.19… in func_pol()
8975 …76 + 0.24e-1 * t3687 * t5779 - 0.4e-2 * t3687 * t5782 - 0.96e-4 * t3690 * t5786 + 0.96e-4 * t3690 … in func_pol()
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| H A D | mgga_x_m11_l.c | 4173 double t5750, t5785, t5786, t5820, t5855, t5856, t5858, t5859; in func_pol() local
6533 t5786 = t5750 + t5785; in func_pol()
6537 t5858 = t170 * t5856 + t91 * t5786; in func_pol()
8752 …t15113 = -0.15766086240000000000e-1 * t573 * t577 * t5786 + t91 * t14950 - 0.13717421124828532236e… in func_pol()
9036 …t15949 = 0.59122823400000000000e-2 * t572 * t1376 * t5786 + 0.51440329218106995885e-2 * t79 * t138… in func_pol()
11602 …* (-0.76906968678720000000e-3 * t2024 * t2030 * t5786 + 0.57808982880000000000e-1 * t573 * t2036 *… in func_pol()
12053 ….28840113254520000000e-3 * t2024 * t4156 * t5786 * sigma[0] - 0.15766086240000000000e-1 * t572 * t… in func_pol()
12618 ….27e2 * t210 * t211 * t68 * (-0.10815042470445000000e-3 * t2021 * t5467 * t5786 - 0.47936729530203… in func_pol()
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| H A D | mgga_x_vt84.c | 6789 double t5768, t5774, t5777, t5778, t5781, t5782, t5785, t5786; in func_pol() local
9823 t5786 = t618 * t5785; in func_pol()
9831 …493497918454894154e0 * t5781 * t5782 - 0.46986995836909788308e0 * t3307 * t5786 + 0.11038888888888… in func_pol()
12433 …08e0 * t473 * t16571 * t210 * t1240 - 0.93973991673819576616e0 * t10956 * t5786 + t208 * t16791 * … in func_pol()
12481 …454894154e0 * t473 * t12875 * t5782 - 0.93973991673819576616e0 * t11156 * t5786 + 0.12529865556509… in func_pol()
13382 …682341231e0 * t473 * t16571 * t5782 - 0.14096098751072936492e1 * t13127 * t5786 + 0.12418750000000… in func_pol()
13454 …4798334763915322e1 * t17027 * t1667 - 0.14096098751072936492e1 * t12846 * t5786 + 0.33116666666666… in func_pol()
13722 …5176 * t5786 - 0.68551499999999999994e-4 * t15003 * t5791 - 0.87536773244162935614e-4 * t5363 * t5… in func_pol()
13725 …t24903 = -0.46986995836909788308e0 * t14959 * t5786 + 0.11038888888888888888e0 * t14480 * t5791 + … in func_pol()
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| H A D | mgga_k_pc07.c | 8146 double t5773, t5776, t5780, t5781, t5782, t5785, t5786, t5787; in func_pol() local
11365 t5786 = t604 * t465; in func_pol()
11366 t5787 = t5786 * t1218; in func_pol()
14543 …30e2 * t3608 * t5772 * t234 * t223 - 0.30e2 * t5771 * t5786 * t234 * t1218 + 0.24e2 * t1206 * t578… in func_pol()
14551 …+ 0.6e1 * t19705 * t3564 + 0.6e1 * t1206 * t5772 * t600 + 0.6e1 * t5785 * t5786 * t3580 - 0.15e2 /… in func_pol()
15855 …772 * t386 * t223 - 0.15e2 * t5771 * t5786 * t23548 - 0.15e2 * t3608 * t5772 * t381 * t234 + 0.12e… in func_pol()
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| H A D | mgga_x_rscan.c | 330 double t5786, t5789, t5794, t5795, t5806, t5809, t5811, t5814; in func_unpol() local
3267 t5786 = t5785 * t279; in func_unpol()
3271 …2e1 * t1545 * t5789 - t1545 * t5795 + 0.6e1 * t4260 * t5786 + 0.6e1 * t4268 * t5786 + t4280 * t578… in func_unpol()
14530 double t5781, t5783, t5786, t5787, t5788, t5789, t5790, t5791; in func_pol() local
18898 t5786 = t1862 * t4759 * t203; in func_pol()
18899 t5787 = t636 * t5786; in func_pol()
23552 …24335164e3 * t16649 * t5771 * t16650 + 0.83124720000000000000e3 * t1855 * t5786 - 0.76967333333333… in func_pol()
23557 t16688 = t1364 * t5786; in func_pol()
24956 … - 0.29687400000000000000e2 * t24504 + 0.20781180000000000000e3 * t2855 * t5786 + 0.86588250000000… in func_pol()
25637 …17650000000000000e2 * t10279 * t1870 + 0.20781180000000000000e3 * t3549 * t5786 + 0.23090200000000… in func_pol()
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| H A D | mgga_x_m08.c | 1483 double t5786, t5845, t5848, t5851, t5854, t5857, t5862, t5867; in func_ferr() local
2554 …t5786 = -0.1400e4 * t117 * t5480 - 0.5040e4 * t123 * t5509 - 0.640e3 * t1692 * t5527 - 0.2000e4 * … in func_ferr()
2556 …-1 * t245 * t246 * t2998 + t105 * (t5616 + t5640 + t5664 + t5689 + t5714 + t5737 + t5761 + t5786)); in func_ferr()
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| H A D | hyb_mgga_x_js18.c | 230 double t5779, t5781, t5783, t5785, t5786, t5787, t5800, t5801; in func_unpol() local
2167 t5786 = t5785 * t26; in func_unpol()
2176 …2 * t4006 * t680 - 0.324e3 * t764 * t5805 - 0.108e3 * t764 * t5808 - 0.54e2 * t764 * t5820 - t5786; in func_unpol()
2196 … 0.67919282666666666667e1 * t4220 * t5902 + t2229 * t403 + t5906 * t215 + t5786 * t154 + t5909 * t… in func_unpol()
2218 …t6036 = t5786 * t229 + t2229 * t493 - 0.12e2 * t4006 * t721 - 0.12e2 * t1630 * t1731 - 0.12e2 * t1… in func_unpol()
3426 …t5787 * t1159 - 0.9e1 / 0.100e3 * t8465 * t2263 + t14894 * t229 + 0.2e1 * t5786 * t493 + t2229 * t… in func_unpol()
3468 …69 * t4022 + 0.2e1 * t5827 * t439 * t215 + t2258 * t1098 * t215 + 0.2e1 * t5786 * t403 + t15360 * … in func_unpol()
3796 …29629628e0 * t18915 * t1655 + 0.75465869629629629628e0 * t18918 * t1655 + t5786 * t623 - 0.8385096… in func_unpol()
3849 …14638 * t2240 - 0.12577644938271604938e1 * t4357 * t6947 + t6864 * t493 + t5786 * t664 + t2229 * t… in func_unpol()
3873 …t19751 = 0.31444112345679012345e0 * t7143 * t1662 - 0.18866467407407407407e0 * t5786 * t10 * t691 … in func_unpol()
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