| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_lyp.c | 637 double t6317, t6331, t6333, t6341, t6347, t6349, t6350, t6353; in func_pol() local
2636 t6331 = t2528 * t553; in func_pol()
2638 …t2535 * t2541 + 0.11e2 / 0.1728e4 * t942 * t100 * t1111 - 0.4e1 / 0.3e1 * t6331 + t6333 / 0.4e1 + … in func_pol()
2774 …1e2 / 0.36e2 * t256 * t2506 - t720 * t926 / 0.6e1 - t6841 - 0.4e1 / 0.9e1 * t6331 + t6333 / 0.12e2; in func_pol()
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| H A D | gga_c_revtca.c | 1406 double t6324, t6328, t6331, t6335, t6339, t6342, t6347, t6352; in func_pol() local
4564 t6331 = t1617 * t1907 * t1613; in func_pol()
4568 …* t5264 - 0.13053634784904204249e-2 * t6328 + 0.78288470217786492252e-1 * t6331 + t6335 - 0.261072… in func_pol()
4691 t6704 = 0.15657694043557298450e0 * t6331; in func_pol()
4828 … * t5254 - 0.52214539139616816991e-2 * t6328 + 0.31315388087114596900e0 * t6331 - 0.26107269569808… in func_pol()
4855 …225 + t5231 - 0.39160904354712612747e-2 * t6328 + 0.23486541065335947675e0 * t6331 + t5274 - t5277; in func_pol()
4867 …881 + t5885 - t5887 + t5899 - 0.78321808709425225487e-2 * t6328 + 0.46973082130671895350e0 * t6331; in func_pol()
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| H A D | gga_c_bmk.c | 1577 double t6328, t6330, t6331, t6332, t6334, t6335, t6337, t6338; in func_pol() local
4775 t6331 = t607 * t6330; in func_pol()
4776 t6332 = t896 * t6331; in func_pol()
6707 …t6331 + 0.30000000000000000000e1 * t1367 * t607 * t17863 - 0.10000000000000000000e1 * t896 * t607 … in func_pol()
6754 …t6331 - 0.20000000000000000000e1 * t896 * t607 * t18316 + 0.30000000000000000000e1 * t1367 * t1976… in func_pol()
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| H A D | gga_x_sfat_pbe.c | 3466 double t6330, t6331, t6334, t6344, t6350, t6369, t6376, t6393; in func_pol() local
6379 t6331 = 0.1e1 / t6330; in func_pol()
6380 …* t2312 * t2314 - 0.12e2 * t851 * t6321 + 0.3e1 * t82 * t6324 * t856 + 0.6e1 * t82 * t6328 * t6331; in func_pol()
6857 …416e-1 * t3640 * t3630 - 0.44578568493664954950e0 * t1409 * t1415 * t26 * t6331 * t2317 + 0.445785… in func_pol()
7264 …409 * t4649 * t12181 + 0.99362438447218888530e-1 * t4672 * t4674 * t660 * t6331 * t853 - 0.2718239… in func_pol()
7530 … t5414 * t209 * t856 * t288 - 0.17142730087929090350e-1 * t5446 * t5447 * t6331 * t288 - 0.2882090… in func_pol()
7766 … t513 + 0.12736639456552633498e-2 * t82 * t15270 * t6185 * t824 * t6018 * t6331 * t18 * t20 * t619… in func_pol()
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| H A D | gga_c_zvpbeloc.c | 2306 double t6317, t6319, t6320, t6321, t6327, t6330, t6331, t6334; in func_pol() local
5997 t6331 = t916 * t6330; in func_pol()
6020 …2 + 0.2e1 * t1560 * t1632 + 0.2e1 * t376 * t6327 - t6228 + 0.2e1 * t376 * t6331 - 0.82246703342411… in func_pol()
9714 …t22456 = -0.6e1 * t15246 * t6358 - t20566 + 0.2e1 * t911 * t6331 + 0.2e1 * t640 * t6331 - t22444 *… in func_pol()
9980 …316 * t462 + t23614 + 0.4e1 * t5100 * t1683 + 0.4e1 * t1069 * t6331 + 0.4e1 * t1168 * t6331 - 0.82… in func_pol()
10570 t25765 = 0.4e1 * t1487 * t6331; in func_pol()
10742 …e1 * t6142 * t1632 + 0.32898681336964528730e-1 * t26170 + 0.4e1 * t1560 * t6331 - 0.2e1 * t5273 * … in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2136 double t6307, t6318, t6320, t6321, t6323, t6329, t6331, t6337; in func_pol() local
5148 t6331 = t958 * t2324; in func_pol()
5150 …387 * t964 * t365 * t5465 - 0.119e3 / 0.576e3 * t6329 + 0.7e1 / 0.288e3 * t6331 - t387 * t391 * t3… in func_pol()
5376 …95e3 / 0.1152e4 * t6323 - 0.119e3 / 0.1152e4 * t6329 + 0.7e1 / 0.1152e4 * t6331 + 0.7e1 / 0.1536e4… in func_pol()
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| H A D | gga_xc_b97.c | 1936 double t6331, t6333, t6334, t6337, t6339, t6340, t6341, t6343; in func_pol() local
5380 t6331 = t6330 * t548; in func_pol()
5401 …t6369 = 0.50000000000000000001e0 * t6328 + 0.50000000000000000001e0 * t6331 + 0.200000000000000000… in func_pol()
7795 …1 * t6323 + 0.10000000000000000000e1 * t6328 + 0.10000000000000000000e1 * t6331 + 0.40000000000000… in func_pol()
8056 …1 * t6323 + 0.15000000000000000000e1 * t6328 + 0.15000000000000000000e1 * t6331 + 0.60000000000000… in func_pol()
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| H A D | gga_c_optc.c | 2539 double t6327, t6329, t6331, t6333, t6334, t6335, t6336, t6339; in func_pol() local
7197 t6331 = t425 * t1973; in func_pol()
7218 …* t6327 - 0.34246666666666666665e-1 * t6329 + 0.17123333333333333333e-1 * t6331 - 0.19025925925925… in func_pol()
7229 …t6404 = -t6393 - 0.4e1 / 0.9e1 * t6325 + 0.2e1 / 0.9e1 * t6327 - 0.2e1 / 0.3e1 * t6329 + t6331 / 0… in func_pol()
7255 …t6467 = 0.51647499999999999999e0 * t6331 + 0.34431666666666666666e0 * t6327 - 0.573861111111111111… in func_pol()
7517 …2 * t6354 - 0.25851111111111111110e1 * t6325 + 0.19388333333333333333e1 * t6331 + 0.12925555555555… in func_pol()
7529 …4 * t6354 - 0.96922222222222222223e3 * t6325 + 0.72691666666666666668e3 * t6331 + 0.48461111111111… in func_pol()
8234 …* t6327 - 0.11415555555555555555e-1 * t6329 + 0.57077777777777777777e-2 * t6331 - 0.76103703703703… in func_pol()
8372 …t9065 = -t6393 - 0.8e1 / 0.27e2 * t6325 + 0.2e1 / 0.27e2 * t6327 - 0.2e1 / 0.9e1 * t6329 + t6331 /… in func_pol()
8380 …431666666666666666e0 * t6329 - 0.45908888888888888888e0 * t6325 + 0.17215833333333333333e0 * t6331; in func_pol()
[all …]
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| H A D | gga_x_sfat.c | 1664 double t6331, t6337, t6347, t6352, t6374, t6396, t6398, t6404; in func_ferr() local
2878 t6331 = t2650 * t6213 * t14; in func_ferr()
2881 … t174 - 0.432e3 * t811 * t793 * t6222 * t446 + 0.945e3 / 0.32e2 * t3008 * t6331 + 0.6480e4 * t5038… in func_ferr()
2900 …- 0.4e1 * t1921 * t789 - 0.8e1 / 0.3e1 * t6135 * t251 - 0.315e3 * t2648 * t6331 - 0.18e2 * t4473 *… in func_ferr()
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| H A D | gga_x_gg99.c | 3773 double t6324, t6326, t6327, t6328, t6330, t6331, t6333, t6335; in func_pol() local
7459 t6331 = t275 * t6330; in func_pol()
7464 …04 + t6308 + t6310 + t6312 - t6316 - t6320 + t6322 - t6324 - t6326 + t6328 - t6331 - t6335 + t6339; in func_pol()
9518 …t20211 = t6312 - t6316 - t6320 + t6322 - t6324 - t6326 + t6328 - t6331 - t6335 + t6339 + t4 * (t19… in func_pol()
9582 …t20391 = t6312 - t6316 - t6320 + t6322 - t6324 - t6326 + t6328 - t6331 - t6335 + t6339 + t4 * (t20… in func_pol()
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| H A D | gga_x_ityh.c | 2662 double t6292, t6294, t6301, t6312, t6315, t6322, t6331, t6346; in func_pol() local
5009 …t6331 = 0.2e1 / 0.9e1 * t2050 * t262 * t824 * t730 - 0.2e1 / 0.9e1 * t6301 + t2050 * t262 * t828 *… in func_pol()
5013 …1 / 0.9e1 * t2325 + t9 * (t6077 + t6102 + t6151 + t6197 + t6243 + t6294 + t6331 + t6351) - t2328 /… in func_pol()
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| H A D | gga_c_acgga.c | 2860 double t6316, t6319, t6320, t6323, t6326, t6327, t6330, t6331; in func_pol() local
6999 t6331 = t6330 * t340; in func_pol()
7003 …736281882051994620e0 * t1759 * t6327 + 0.86736281882051994620e0 * t1759 * t6331 + 0.43368140941025… in func_pol()
10638 …9756347548806534796e1 * t6295 * t386 + 0.26020884564615598386e1 * t6092 * t6331 + 0.26020884564615… in func_pol()
11784 …20797848e1 * t22065 * t7148 * t23013 + 0.86736281882051994620e0 * t6844 * t6331 + 0.65854491829355… in func_pol()
13280 …9530705785e1 * t7916 * t8170 * t1030 + 0.34694512752820797848e1 * t8036 * t6331 - 0.45695790132081… 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 | 612 double t6306, t6308, t6314, t6315, t6317, t6328, t6331, t6342; in func_pol() local
2591 t6331 = t136 * t416 * t2539; in func_pol()
2595 …t136 * t138 * t1721 * t275 + 0.392e3 / 0.243e3 * t6328 - 0.8e1 / 0.81e2 * t6331 - 0.16e2 / 0.243e3… in func_pol()
2752 … * t23 * t25 * t26 * (t7184 + t7227 + t7301 + t7343) - 0.16e2 / 0.243e3 * t6331 - 0.16e2 / 0.243e3… in func_pol()
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| H A D | lda_c_ml1.c | 515 double t6321, t6323, t6325, t6327, t6329, t6331, t6333, t6335; in func_pol() local
2891 t6331 = t289 * t5898; in func_pol()
2926 … * t6327 + 0.91959623973811018800e-1 * t6329 + 0.18391924794762203760e0 * t6331 + 0.12261283196508… in func_pol()
3023 …0 * t6327 + 0.25410002852601321894e0 * t6329 + 0.50820005705202643788e0 * t6331 + 0.33880003803468… in func_pol()
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| H A D | lda_c_pk09.c | 2585 double t6319, t6323, t6325, t6326, t6330, t6331, t6332, t6333; in func_pol() local
5472 t6331 = t1705 * t6330; in func_pol()
5473 t6332 = 0.72003268559282526221e1 * t6331; in func_pol()
5495 t6377 = 0.49337189661367955333e-1 * t6331; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_tm.c | 4275 double t6312, t6315, t6318, t6320, t6321, t6328, t6331, t6334; in func_pol() local
7182 t6331 = t585 * t1793; in func_pol()
7207 …t6446 = 0.4e1 * t584 * t1793 + 0.36e2 * t6331 + 0.18e2 * t6334 + 0.2e1 * t6436 + 0.2e1 * t6438 + 0… in func_pol()
7209 …1808 - 0.54e2 * t3346 * t1990 + 0.648e3 * t2587 * t6353 + 0.24e2 * t341 * t6331 + 0.12e2 * t341 * … in func_pol()
9227 ….108e3 * t920 * t18151 - 0.108e3 * t920 * t18154 - 0.108e3 * t2578 * t6350 + 0.24e2 * t913 * t6331; in func_pol()
9249 …t1217 * t18076 - 0.648e3 * t3403 * t18232 - 0.24e2 * t3388 * t6331 - 0.24e2 * t3406 * t6331 + 0.32… in func_pol()
9916 …t21199 = -0.108e3 * t920 * t921 * t21171 - 0.54e2 * t11998 * t1990 + 0.48e2 * t1203 * t6331 + 0.24… in func_pol()
9941 … t16669 * t1808 - 0.48e2 * t4302 * t6331 + 0.648e3 * t4305 * t6347 + 0.216e3 * t4305 * t6350 - 0.4… in func_pol()
10163 …t1469 * t3882 * t1964 * t500 + 0.45279521777777777778e1 * t1469 * t1470 * t6331 - 0.61127354400000… in func_pol()
10175 …t22346 = 0.1944e4 * t10722 * t6353 + 0.36e2 * t1203 * t6642 + 0.72e2 * t1448 * t6331 - 0.162e3 * t… in func_pol()
[all …]
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| H A D | mgga_x_mn12.c | 3792 double t6299, t6302, t6305, t6307, t6314, t6319, t6330, t6331; in func_pol() local
6139 t6331 = t6330 * t2067; in func_pol()
6140 …0000000000000002e-1 * t2307 * t2114 + 0.68266666666666666668e-6 * t2337 * t6331 + 0.24e-1 * t2342 … in func_pol()
6658 … + 0.64e-4 * t3117 * t2102 - 0.32e-4 * t3117 * t2105 - 0.256e-6 * t3120 * t6331 + 0.128e-6 * t3120… in func_pol()
8419 …t6678 * t2095 + 0.13653333333333333334e-5 * t6681 * t6331 - 0.97848888888888888892e-5 * t6718 * t6… in func_pol()
8427 …666666666666667e-3 * t2345 * t17005 + 0.18204444444444444446e-5 * t6672 * t6331 + 0.32e-4 * t6675 … in func_pol()
8767 …66666666668e-6 * t8489 * t6331 + 0.64e-4 * t8492 * t2102 + 0.34133333333333333334e-5 * t8495 * t63… in func_pol()
9015 …3333333333333334e-1 * t9709 * t2095 + 0.68266666666666666668e-6 * t9687 * t6331 + 0.8e-2 * t9690 *… in func_pol()
9168 ….256e-6 * t10624 * t6331 - 0.128e-6 * t10624 * t6353 + 0.64e-4 * t4212 * t2102 - 0.32e-4 * t4212 *… in func_pol()
9327 …0.64e-4 * t10898 * t2102 - 0.32e-4 * t10898 * t2105 - 0.256e-6 * t10901 * t6331 + 0.128e-6 * t1090… in func_pol()
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| H A D | mgga_x_vt84.c | 6808 double t6322, t6323, t6325, t6330, t6331, t6334, t6337, t6338; in func_pol() local
10011 t6331 = t6330 * t72; in func_pol()
10016 …493497918454894153e0 * t4733 * t2315 + 0.23493497918454894153e0 * t1817 * t6331 + 0.10e2 / 0.81e2 … in func_pol()
10062 …7e-4 * t4919 * t3971 - t2293 * t344 - 0.14502159208922774169e-1 * t2346 * t6331 + 0.22713763145861… in func_pol()
12647 …886 * t6325 + 0.4e1 * t18215 * t4673 + 0.46986995836909788306e0 * t4733 * t6331 + 0.23493497918454… in func_pol()
12653 …1200000000000000e-2 * t1811 * t4116 + 0.29004318417845548338e-1 * t4760 * t6331 - 0.45427526291723… in func_pol()
13633 …392 * t6315 + 0.37815886041478388184e-2 * t6374 * t6319 + 0.46986995836909788306e0 * t6355 * t6331; in func_pol()
13635 …318417845548338e-1 * t18059 * t2315 + 0.29004318417845548338e-1 * t6392 * t6331 - 0.45427526291723… in func_pol()
13993 …739194093e-2 * t7133 * t5510 * t296 + 0.93973991673819576612e0 * t20277 * t6331 - 0.93973991673819… in func_pol()
14026 …t26959 = -0.87012955253536645014e-1 * t20525 * t5648 + 0.58008636835691096676e-1 * t4763 * t6331 +… in func_pol()
[all …]
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| H A D | mgga_x_m11.c | 3119 double t6318, t6320, t6321, t6322, t6327, t6330, t6331, t6332; in func_pol() local
5756 t6331 = t6073 + t6330; in func_pol()
5757 t6332 = t6331 * t345; in func_pol()
7965 t15345 = t17 * t6331; in func_pol()
8251 …- 0.9e1 / 0.8e1 * t8 * t215 * t2167 * t2581 - 0.9e1 / 0.8e1 * t8 * t215 * t6331 * t940 - 0.5e1 / 0… in func_pol()
8520 …783 * t19820 * t7805 / 0.6e1 - t2783 * t19960 * t2842 - 0.3e1 / 0.8e1 * t948 * t963 * t6331 * t972; in func_pol()
8697 …734 * t7699 * t3194 * t9 / 0.3e1 - t21359 - 0.3e1 / 0.8e1 * t948 * t963 * t6331 * t1192 - 0.3e1 / … in func_pol()
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| H A D | mgga_c_b88.c | 2857 double t6318, t6320, t6321, t6323, t6325, t6327, t6329, t6331; in func_pol() local
7454 t6331 = 0.89478485333333333343e-2 * t334 * t6329; in func_pol()
7494 t6416 = -t6323 + t6327 + t6331 + t6335 - t6339 + t6341 + t6345 + t6349 - t6353 + t6355 - t6415; in func_pol()
9770 …t20779 = t6327 + t6331 + t6335 - t6339 + t6341 + t6345 + t6349 - t6353 + t6355 - t6415 + t4 * (t20… in func_pol()
9886 …t22185 = t6327 + t6331 + t6335 - t6339 + t6341 + t6345 + t6349 - t6353 + t6355 - t6415 + t4 * (t21… in func_pol()
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| H A D | mgga_c_m06l.c | 5810 double t6330, t6331, t6332, t6333, t6334, t6335, t6336, t6337; in func_pol() local
10820 t6331 = t2216 * t105; in func_pol()
10821 t6332 = t738 * t6331; in func_pol()
11634 t7815 = t1011 * t6331; in func_pol()
17392 …155210402e2 * t17645 * t1837 - 0.60000000000000000000e1 * t1844 * t1845 * t6331 - 0.30338381827160… in func_pol()
17867 …00000000000e1 * t1859 * t6332 + 0.30000000000000000000e1 * t737 * t1849 * t6331 + 0.41380810335418… in func_pol()
17869 …0000000000e2 * t5718 * t6264 + 0.96491876992155210402e2 * t1806 * t1807 * t6331 + 0.19298375398431… in func_pol()
18450 … t7384 * t1813 + t977 * t5526 + 0.15000000000000000000e1 * t737 * t2334 * t6331 + 0.10345202583854… in func_pol()
18914 …00000000000e1 * t9260 * t740 - 0.10000000000000000000e1 * t1844 * t2854 * t6331 - 0.18654420000000… in func_pol()
18972 …692535067e2 * t20197 * t2867 + 0.16081979498692535067e2 * t1806 * t2866 * t6331 + 0.16081979498692… in func_pol()
[all …]
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| H A D | mgga_x_revtm.c | 4826 double t6331, t6334, t6339, t6340, t6341, t6344, t6345, t6346; in func_pol() local
7575 t6331 = t6328 * t25; in func_pol()
7584 …3 * t519 * t1818 + 0.584e3 / 0.405e3 * t105 * t6328 - 0.146e3 / 0.135e3 * t6331 * t109 - 0.146e3 /… in func_pol()
9649 …84 * t109 - 0.146e3 / 0.135e3 * t6328 * t233 * t109 + 0.146e3 / 0.135e3 * t6331 * t233 + 0.146e3 /… in func_pol()
10542 …48 * t109 - 0.584e3 / 0.135e3 * t6328 * t472 * t109 + 0.584e3 / 0.135e3 * t6331 * t472 - 0.146e3 /… in func_pol()
10686 …2 * t6608 * t472 + 0.292e3 / 0.45e2 * t2029 * t1748 + 0.146e3 / 0.135e3 * t6331 * t609 + 0.292e3 /… in func_pol()
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| H A D | mgga_x_m06l.c | 2937 double t6307, t6309, t6314, t6321, t6325, t6331, t6353, t6359; in func_pol() local
5641 …t6331 = -0.3e1 / 0.2e1 * t8 * t1101 * t1058 * t9 + t6291 + t8 * t6292 * t420 / 0.2e1 - 0.5e1 / 0.2… in func_pol()
5644 …t6363 = t10 * (t6227 + t6283 + t6331 + t6353) - t6158 - 0.3e1 / 0.4e1 * t2633 + 0.3e1 / 0.4e1 * t2… in func_pol()
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| H A D | mgga_c_m05.c | 3293 double t6317, t6319, t6321, t6323, t6325, t6327, t6329, t6331; in func_pol() local
7530 t6331 = t6018 * t118; in func_pol()
7544 …* t6327 - 0.15545350000000000000e-1 * t6329 - 0.15545350000000000000e-1 * t6331 - 0.15545350000000… in func_pol()
11458 …t18674 = -0.31090700000000000000e-1 * t6329 - 0.31090700000000000000e-1 * t6331 - 0.31090700000000… in func_pol()
11769 …* t6327 - 0.46636050000000000000e-1 * t6329 - 0.46636050000000000000e-1 * t6331 - 0.46636050000000… in func_pol()
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| H A D | mgga_xc_b97mv.c | 3939 double t6325, t6327, t6329, t6331, t6334, t6348, t6350, t6353; in func_pol() local
8178 t6331 = t501 * t6329 * t521; in func_pol()
8179 …* t482 * t2101 - 0.10000000000000000000e1 * t497 * t2101 - 0.50000000000000000001e0 * t166 * t6331; in func_pol()
12544 … * t1343 * t2101 - 0.15000000000000000000e1 * t482 * t6331 - 0.15000000000000000000e1 * t497 * t63… in func_pol()
13143 …0000000000000000000e1 * t2024 * t2101 - 0.10000000000000000000e1 * t771 * t6331 + 0.19298375398431… in func_pol()
13159 …0000000000000000000e1 * t2048 * t2101 - 0.10000000000000000000e1 * t779 * t6331 - 0.50000000000000… in func_pol()
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