| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_sogga11.c | 1508 double t4559, t4563, t4566, t4569, t4572, t4574, t4603, t4608; in func_pol() local
3100 t4574 = t377 * t4572 * sigma[2]; in func_pol()
3102 …t4574 + 0.341e3 / 0.162e3 * t654 * t4574 - 0.341e3 / 0.81e2 * t658 * t4574 + 0.682e3 / 0.243e3 * t… in func_pol()
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| H A D | gga_c_wl.c | 558 double t4564, t4566, t4567, t4568, t4569, t4570, t4571, t4574; in func_pol() local
2542 t4574 = 0.90015000000000000000e-2 * t4518; in func_pol()
2546 v4rhosigma3[7] = -t4521 + t4522 - t4523 - t4574 + t4575 - t4576; in func_pol()
2551 …v4rhosigma3[8] = -t4449 + t4450 - t4451 - t4574 + t4575 - t4576 - t4577 + 0.12152025000000000000e-… in func_pol()
2634 v4rhosigma3[17] = -t4521 + t4715 - t4716 - t4574 + t4758 - t4759 - t4760; in func_pol()
2637 …v4rhosigma3[18] = -t4449 + t4669 - t4670 - t4574 + t4758 - t4759 - t4760 - t4577 + 0.1215202500000… in func_pol()
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| H A D | gga_c_hcth_a.c | 1573 double t4570, t4571, t4574, t4577, t4581, t4586, t4587, t4591; in func_pol() local
4191 t4574 = t1780 * t910; in func_pol()
4280 …- 0.38597957430933730667e-1 * t4569 * t4571 + 0.17272611111111111111e-2 * t4574 * t1116 + 0.224786… in func_pol()
4468 …- 0.17272611111111111111e-2 * t5023 * t5025 + 0.86363055555555555557e-3 * t4574 * t2099 + 0.863630… in func_pol()
5934 … t3138 + 0.25908916666666666667e-2 * t10187 + 0.51817833333333333333e-2 * t4574 * t2910 + 0.388020… in func_pol()
5940 …7e-2 * t10211 * t1116 - 0.51817833333333333333e-2 * t4574 * t3158 + 0.25908916666666666667e-2 * t4… in func_pol()
6029 …8 + 0.15520809029201033722e-1 * t1791 * t1150 * t10175 + 0.34545222222222222222e-2 * t4574 * t2922; in func_pol()
6655 …1504273400791635e0 * t9965 * t14108 * t4493 + 0.23030148148148148148e-2 * t4574 * t5302 + 0.230301… in func_pol()
6844 …7272611111111111111e-2 * t4574 * t5019 + 0.51736030097336779075e-2 * t1791 * t1150 * t14928 + 0.17… in func_pol()
6979 …t4574 * t5972 - 0.34545222222222222222e-2 * t5023 * t1113 * t5167 - 0.11579387229280119200e0 * t18… in func_pol()
[all …]
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| H A D | gga_x_airy.c | 1184 double t4452, t4455, t4483, t4530, t4536, t4548, t4565, t4574; in func_pol() local
2740 t4574 = t1789 * sigma[0]; in func_pol()
2741 t4575 = 0.1e1 / t4574; in func_pol()
2744 t4597 = 0.1e1 / t24 / t4574; in func_pol()
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| H A D | gga_c_op_pbe.c | 866 double t4522, t4534, t4536, t4538, t4568, t4574, t4575, t4581; in func_pol() local
3011 t4574 = t319 * t60; in func_pol()
3012 t4575 = t4574 * t352; in func_pol()
3384 t6439 = 0.20000000000000000000e1 * t4574 * t490; in func_pol()
3472 t6864 = 0.20000000000000000000e1 * t4574 * t554; in func_pol()
3621 t7652 = t4574 * t590; in func_pol()
3727 t8260 = t4574 * t638; in func_pol()
4279 t11386 = t4574 * t767; in func_pol()
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| H A D | gga_x_hjs.c | 7699 t4574 = t1326 * t1326; in func_pol()
7719 t4648 = t1739 * t4574; in func_pol()
10792 t13891 = t5441 * t4574; in func_pol()
10849 t14091 = t5363 * t4574; in func_pol()
11342 t15752 = t4574 * t1326; in func_pol()
11350 t15773 = t4574 * t1371; in func_pol()
17387 t50509 = t4574 * t761; in func_pol()
17389 t50515 = t4574 * t727; in func_pol()
17571 t51726 = t4574 * t993; in func_pol()
17572 t51730 = t4574 * t970; in func_pol()
[all …]
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| H A D | gga_x_sfat_pbe.c | 3389 double t4546, t4552, t4556, t4560, t4562, t4566, t4574, t4578; in func_pol() local
5714 t4574 = t21 * t2193 * sigma[0]; in func_pol()
5781 …4126235211092554e-6 * t4690 * t4566 - 0.95713335028921720333e-7 * t4690 * t4574 + 0.14433230888517… in func_pol()
5798 …1998261037089516e-3 * t4556 * t1739 + 0.10209422403084983502e-5 * t4560 * t4574 + 0.33021161847159… in func_pol()
7190 … * t3558 - 0.70395029249200882086e-5 * t11682 * t3539 + 0.20418844806169967004e-5 * t11675 * t4574; in func_pol()
7198 …t11744 = -0.15314133604627475253e-4 * t3766 * t4574 + 0.59523368360864897058e-3 * t4508 * t6137 * … in func_pol()
7219 …52470422185108e-6 * t11821 * t4566 - 0.19142667005784344067e-6 * t11821 * t4574 + 0.11308084006315… in func_pol()
7222 …844024e-2 * t4719 * t11862 * t11811 + 0.14357000254338258050e-5 * t3537 * t4574 - 0.19725415547640… in func_pol()
7576 …t4574 + 0.12798133095136341767e-5 * t13769 * t4562 + 0.39597203952675496173e-5 * t13769 * t4566 - … in func_pol()
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| H A D | gga_x_bpccac.c | 1490 double t4540, t4557, t4565, t4574, t4583, t4616, t4637, t4648; in func_pol() local
3076 t4574 = t1927 * t1981; in func_pol()
3079 …* t530 * t909 * t578 / 0.3e1 + t1941 * t821 * t909 * t8 - 0.2e1 / 0.3e1 * t4574 - t1931 * t1949 * … in func_pol()
3107 … * t1362 * t384 * t1717 / 0.9e1 - t1931 * t1949 * t1722 / 0.2e1 - 0.2e1 * t4574 - 0.3e1 / 0.2e1 * … in func_pol()
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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
2915 t4574 = t69 * t4573; in func_pol()
2917 …* t377 * t4566 + 0.12000000000000000000e2 * t4570 - 0.60000000000000000000e1 * t94 * t4574 * t4575; in func_pol()
3118 ….10000000000000000000e1 * t1644 * t202 - 0.60000000000000000000e1 * t94 * t4574 * t5775 - 0.600000… in func_pol()
4097 …333333333333e-1 * t3151 * t263 * t2101 - 0.60000000000000000000e1 * t94 * t4574 * t3172 * t1355 - … in func_pol()
4849 …00000000000000e1 * t434 * t624 * t3925 - 0.60000000000000000000e1 * t94 * t4574 * t18213 - 0.15000… in func_pol()
4972 …00000000000000e1 * t94 * t377 * t18925 - 0.60000000000000000000e1 * t94 * t4574 * t18929 + 0.32010… in func_pol()
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| H A D | gga_x_n12.c | 1180 double t4569, t4572, t4574, t4579, t4582, t4584, t4586, t4587; in func_pol() local
2861 …t4574 = -0.5e1 / 0.9e1 * t4084 - 0.3e1 / 0.8e1 * t7 * t120 * t4205 - 0.3e1 / 0.8e1 * t7 * t17 * (t… in func_pol()
2898 …1 / 0.9e1 * t2104 - 0.2e1 / 0.3e1 * t2108 + 0.4e1 / 0.3e1 * t2112 + t9 * (t4574 + t4635 + t4683 + … in func_pol()
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| H A D | gga_c_bmk.c | 1493 double t4574, t4576, t4577, t4579, t4580, t4582, t4583, t4592; in func_pol() local
4080 t4574 = t168 * t4573; in func_pol()
4094 …- 0.2e1 * t4564 - 0.8e1 / 0.3e1 * t4567 + t4601 / 0.9e1 - 0.2e1 / 0.9e1 * t4574 + 0.2e1 / 0.3e1 * … in func_pol()
4095 …t4615 = -0.34431666666666666667e0 * t4574 + 0.20659000000000000000e1 * t4577 - 0.57386111111111111… in func_pol()
4160 …* t4567 + 0.57077777777777777777e-2 * t4601 - 0.11415555555555555555e-1 * t4574 + 0.34246666666666… in func_pol()
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| H A D | gga_c_ft97.c | 6046 double t4574, t4576, t4580, t4595, t4597, t4601, t4602, t4603; in func_pol() local
12785 t4574 = t942 * t979; in func_pol()
12786 t4576 = t452 * t488 * t4574; in func_pol()
17837 t15994 = t4574 * t379; in func_pol()
17946 t16256 = t452 * t1765 * t4574; in func_pol()
19520 t20186 = t452 * t3258 * t4574; in func_pol()
19535 t20222 = t4574 * t925; in func_pol()
23495 t29798 = t23078 * t4574; in func_pol()
23552 t29956 = t23068 * t4574; in func_pol()
23563 t29982 = t452 * t5710 * t4574; in func_pol()
[all …]
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| H A D | gga_c_revtca.c | 1330 double t4520, t4533, t4552, t4574, t4582, t4599, t4601, t4603; in func_pol() local
3942 …t4574 = -0.28e2 / 0.81e2 * t2848 * t1396 * t103 + 0.8e1 / 0.9e1 * t1295 * t313 + 0.4e1 / 0.9e1 * t… in func_pol()
3951 …t4614 = t98 * t99 * t92 * t4574 + t98 * t99 * t1429 * t109 + 0.6e1 * t4582 * t410 + 0.6e1 * t1277 … in func_pol()
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| H A D | gga_c_regtpss.c | 2488 double t4562, t4563, t4568, t4570, t4574, t4575, t4576, t4577; in func_pol() local
5496 t4574 = 0.17135234354032049604e-1 * t1433 * t4568; in func_pol()
5497 ….86736281882051994620e0 * t4524 * t1448 - t4570 - 0.86736281882051994620e0 * t1436 * t1452 + t4574; in func_pol()
5675 …967 * t373 - t4570 - 0.12851425765524037203e-1 * t4972 + 0.72280234901709995518e-2 * t4975 + t4574; in func_pol()
5797 …4975 + 0.86736281882051994620e0 * t1439 * t5292 + 0.43368140941025997310e0 * t1439 * t5297 + t4574; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_mvsb.c | 2500 double t4571, t4574, t4577, t4581, t4592, t4593, t4597, t4606; in func_pol() local
5378 t4574 = 0.1e1 / t20 / t207; in func_pol()
5379 t4577 = 0.6160e4 / 0.81e2 * t4571 - 0.2618e4 / 0.81e2 * sigma[0] * t4574; in func_pol()
7819 t12900 = t187 * t4574; in func_pol()
7820 t12903 = t531 * t4574; in func_pol()
7821 …t4574 + 0.24e2 * t4574 * t52) * t56 - t4277 * t378 + 0.15e2 / 0.8e1 * t1346 * t1351 - 0.3e1 / 0.2e… in func_pol()
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| H A D | mgga_x_m06l.c | 2889 double t4550, t4552, t4556, t4561, t4574, t4575, t4578, t4579; in func_pol() local
4953 t4574 = t775 * t540; in func_pol()
4954 t4575 = t2947 * t4574; in func_pol()
4959 t4588 = t2955 * t4574; in func_pol()
4965 t4609 = t2940 * t4574; in func_pol()
6296 …578 * t4461 + 0.2240712e-1 * t2004 * t9519 - 0.8367983778240e-3 * t6931 * t4574 - 0.4183991889120e… in func_pol()
6298 …t9836 = 0.2240712e-1 * t2007 * t9519 - 0.3347193511296e-3 * t7371 * t4574 - 0.1673596755648e-3 * t… in func_pol()
6685 …76 * t4453 + 0.8962848e-1 * t5158 * t10800 - 0.8367983778240e-3 * t7900 * t4574 + 0.46875604169269… in func_pol()
6874 …1 * t10800 + 0.17925696e0 * t5214 * t10800 - 0.8367983778240e-3 * t8876 * t4574 - 0.8367983778240e… in func_pol()
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| H A D | mgga_x_br89_explicit.c | 220 double t4558, t4559, t4562, t4568, t4571, t4574, t4575, t4576; in func_unpol() local
2406 t4574 = t975 * t492; in func_unpol()
4987 …t4574 * t4483 * t5389 + 0.62811071439918130814e-2 * t4574 * t1360 * t12 * t527 + 0.628110714399181… in func_unpol()
5479 …t4574 * t1360 * t406 * t240 + 0.62811071439918130814e-2 * t15655 * t6507 + 0.62811071439918130814e… in func_unpol()
5777 … * t15693 * t7080 + 0.31405535719959065407e-2 * t4574 * t13995 * t222 + 0.31405535719959065407e-2 … in func_unpol()
5796 …t4574 * t1360 * t94 * t240 - 0.15297481560857972487e-2 * t4579 * t6479 * t3887 + 0.837480952532241… in func_unpol()
5935 …t4574 * t4584 * t641 + 0.62811071439918130814e-2 * t15655 * t7396 + 0.62811071439918130814e-2 * t1… in func_unpol()
6240 …t4574 * t15703 * t284 + 0.12562214287983626163e-1 * t4574 * t22547 * t284 - 0.21181128315034115752… in func_unpol()
6626 …* t1394 * t1237 + 0.52342559533265109012e-3 * t4574 * t300 * t2 * t1075 + 0.62811071439918130814e-… in func_unpol()
6810 …t36073 = 0.12562214287983626163e-1 * t4574 * t1360 * t12 * t1270 + 0.20937023813306043605e-2 * t45… in func_unpol()
[all …]
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| H A D | mgga_x_scanl.c | 232 double t4570, t4572, t4574, t4575, t4577, t4581, t4586, t4593; in func_unpol() local
2316 t4574 = t1890 * t1590; in func_unpol()
2317 t4575 = t4574 * t629; in func_unpol()
2615 t5705 = t4574 * t886; in func_unpol()
3943 t13748 = t4574 * t1960; in func_unpol()
3959 t13791 = t4574 * t1971; in func_unpol()
4525 t18414 = t4574 * t2523; in func_unpol()
4736 t20172 = t4574 * t3039; in func_unpol()
5074 t23131 = t4574 * t3394; in func_unpol()
5119 t23552 = t4574 * t3403; in func_unpol()
[all …]
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| H A D | mgga_c_tpss.c | 187 double t4553, t4558, t4567, t4574, t4586, t4590, t4623, t4635; in func_unpol() local
1591 t4574 = t224 * t13; in func_unpol()
3611 double t4568, t4574, t4577, t4580, t4582, t4587, t4588, t4591; in func_pol() local
9406 t4574 = t1258 * t928; in func_pol()
9408 …t4580 = 0.3e1 * t1125 * t1269 + 0.3e1 * t1127 * t1267 + 0.6e1 * t369 * t4574 + 0.3e1 * t369 * t457… in func_pol()
15432 …t20457 = 0.3e1 * t1127 * t5166 + 0.6e1 * t1219 * t4574 + 0.3e1 * t1219 * t4577 + 0.3e1 * t1269 * t… in func_pol()
15586 …t21015 = 0.3e1 * t1127 * t5327 + 0.3e1 * t1269 * t4683 + 0.6e1 * t1318 * t4574 + 0.3e1 * t1318 * t… in func_pol()
26380 …t77402 = 0.6e1 * t3138 * t5166 + 0.6e1 * t3994 * t4574 + 0.3e1 * t3994 * t4577 + 0.6e1 * t4143 * t… in func_pol()
26885 …rams->d + 0.6e1 * t3138 * t5327 + 0.3e1 * t3141 * t5327 + 0.6e1 * t4263 * t4574 + t20112 + t77377 … in func_pol()
32645 …t106976 = 0.6e1 * t5218 * t4574 + 0.6e1 * t105322 + 0.6e1 * t105324 + t105328 + t105769 + 0.3e1 * … in func_pol()
[all …]
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| H A D | mgga_x_mbeefvdw.c | 8753 double t4563, t4569, t4574, t4577, t4580, t4583, t4586, t4589; in func_ferr() local
10961 t4574 = t264 * t1477; in func_ferr()
11468 t6279 = t4574 * t3801; in func_ferr()
11893 t7810 = t4574 * t5382; in func_ferr()
14298 …e-1 * t13475 * t3801 - 0.42021967222222222224e-1 * t4574 * t11339 - 0.21010983611111111112e-1 * t4… in func_ferr()
14329 …778e0 * t13475 * t3806 + 0.33617573777777777778e0 * t4574 * t11066 + 0.16808786888888888889e0 * t4… in func_ferr()
14663 …042e-4 * t824 * t20268 + 0.67235147555555555556e0 * t4574 * t13694 + 0.33617573777777777778e0 * t4… in func_ferr()
15323 …e-1 * t13475 * t5382 - 0.42021967222222222223e-1 * t4574 * t16056 - 0.42021967222222222223e-1 * t4… in func_ferr()
15679 …778e0 * t13475 * t6246 + 0.33617573777777777778e0 * t4574 * t18059 + 0.33617573777777777778e0 * t4… in func_ferr()
15709 …- 0.84043934444444444444e-1 * t25837 * t268 - 0.42021967222222222222e-1 * t4574 * t5803 + 0.206157… in func_ferr()
[all …]
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| H A D | hyb_mgga_x_js18.c | 4401 double t4557, t4566, t4571, t4574, t4579, t4580, t4581, t4582; in func_ferr() local
6096 t4574 = t762 * t627; in func_ferr()
6102 …4566 / 0.10e2 + t1507 * t650 / 0.5e1 - 0.24e2 * t4571 * t1213 + 0.108e3 * t4574 * t1228 - 0.24e2 *… in func_ferr()
6622 …t6776 = t195 * t6749 / 0.10e2 + t2004 * t714 / 0.10e2 + t632 * t2164 / 0.5e1 + 0.108e3 * t4574 * t… in func_ferr()
7577 …t4574 * t4106 + 0.171e3 / 0.1000e4 * t699 * t3947 + t2128 * t1099 * t217 + t4104 * t627 - 0.150931… in func_ferr()
7707 …895 * t6387 - 0.72e2 * t4571 * t4446 - 0.72e2 * t4589 * t4446 + 0.972e3 * t4574 * t4503 + 0.972e3 … in func_ferr()
7799 …t16876 = -0.36e2 * t3892 * t6350 - 0.36e2 * t3878 * t6350 + 0.162e3 * t4574 * t4524 - t6430 + t195… in func_ferr()
7890 …6733 - 0.33959641333333333334e1 * t11003 * t6733 + 0.108e3 * t4574 * t5356 + 0.108e3 * t4574 * t53… in func_ferr()
8194 …* t1992 - 0.3888e4 * t3889 * t20363 - 0.144e3 * t4571 * t6350 + 0.648e3 * t4574 * t6387 - 0.144e3 … in func_ferr()
8284 …t4574 * t6903 - 0.1296e4 * t11563 * t6897 - 0.48e2 * t4589 * t6840 + 0.648e3 * t5131 * t6900 + 0.2… in func_ferr()
[all …]
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| H A D | mgga_c_revscan.c | 2149 double t4533, t4534, t4555, t4558, t4574, t4585, t4589, t4618; in func_ferr() local
3567 t4574 = t1976 * t1979; in func_ferr()
3571 …t4574 * t1981 * t1983 * t1985 * t233 - 0.26103044646041596392e-2 * t1093 * t756 * t40 * t4574 * t1… in func_ferr()
4047 double t4570, t4571, t4572, t4573, t4574, t4575, t4576, t4577; in func_pol() local
8580 t4574 = t1181 * t596; in func_pol()
8581 t4575 = 0.12e2 * t4574; in func_pol()
9074 t5748 = 0.24e2 * t4574; in func_pol()
9367 t6422 = 0.36e2 * t4574; in func_pol()
15313 …t22914 = 0.12e2 * t6709 + 0.240e3 * t4572 + 0.144e3 * t4574 + 0.384e3 * t4576 + 0.36e2 * t6425 + t… in func_pol()
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| H A D | mgga_x_msb.c | 3141 double t4574, t4577, t4588, t4591, t4594, t4597, t4600, t4601; in func_pol() local
5702 t4574 = t8 * t148 * t1635; in func_pol()
5782 …t4973 = -t4574 / 0.2e1 + t4577 / 0.2e1 - 0.3e1 / 0.8e1 * t8 * t18 * (-0.72e2 * t1463 * t1603 * t20… in func_pol()
5815 …684 * t602 * t1659 * t216 / 0.3e1 + t1669 * t579 * t1655 * t141 / 0.3e1 - t4574 / 0.8e1 + t4577 / … 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 | 904 double t4540, t4551, t4567, t4574, t4577, t4579, t4582, t4584; in func_pol() local
2418 …t4574 = t2899 + t2907 + t2913 - t2921 - t2925 + t2929 - t2931 - t2934 + t2938 - t2940 - t2944 + t2… in func_pol()
2432 …6 + 0.6e1 * t2138 + t4148 - t4149 + t7 * (t4458 + t4533 + t4551 + t4567 + t4574 + t4612 + t4625 + … in func_pol()
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| H A D | lda_c_pmgb06.c | 1568 double t4556, t4559, t4561, t4567, t4572, t4574, t4576, t4578; in func_pol() local
4796 t4574 = t762 * t1281; in func_pol()
5342 …t5479 = 0.13169260219272987255e-1 * t3792 + t3796 - 0.31505407223141117834e-1 * t4574 + t4578 + 0.… in func_pol()
5931 …t6616 = -0.63010814446282235668e-1 * t4574 + t4578 + 0.12602162889256447134e0 * t4579 - t4588 - 0.… in func_pol()
6363 … * t111 - 0.71845404061527654564e-1 * t4545 - 0.94516221669423353502e-1 * t4574 + 0.18903244333884… in func_pol()
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