| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_3.c | 895 double t2688, t2689, t2690, t2691, t2695, t2698, t2699, t2700; in func_pol() local
2414 t2695 = 0.240e3 * t1176; in func_pol()
2815 …v4rho4[0] = t1180 / 0.2e1 + t1182 + t2723 - 0.384e3 * t1174 + t2695 + t2689 + t2690 - t2691 + t479… in func_pol()
2819 …t4816 = -t2688 + t4808 - t4809 + 0.180e3 * t1170 - t1173 - t1175 + t2695 + t1180 / 0.4e1 + 0.3e1 /… in func_pol()
3009 …t5297 = -t2688 + 0.192e3 * t1168 + 0.120e3 * t1170 - t2256 + 0.64e2 * t1174 + t2695 + t1180 / 0.12… in func_pol()
3085 …t5778 = -t2688 - t4808 + t4809 + t1171 + t1173 + t1175 + t2695 + t1183 + t1186 + t1188 + t2698 + t… in func_pol()
3158 …/ 0.2e1 + t6238 + t2722 + t1195 + t6255 - t2336 + t6251 - t2376 + t6258 + t2695 + t2698 - t2689 - … in func_pol()
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| H A D | lda_xc_bn05.c | 893 double t2677, t2683, t2684, t2686, t2688, t2689, t2693, t2695; in func_pol() local
2353 t2695 = t9 * t70; in func_pol()
2354 t2697 = t7 * t2695 * t2471; in func_pol()
3716 t7820 = t7 * t2695 * t5839; in func_pol()
3725 …t7857 = 0.3e1 / 0.4e1 * t7 * t2695 * t6283 - 0.5e1 / 0.4e1 * t7820 - 0.5e1 / 0.144e3 * t7824 + t78… in func_pol()
4103 …/ 0.12e2 + t7845 / 0.3e1 - t7848 / 0.12e2 - t7851 / 0.12e2 + t5842 + t7 * t2695 * t7822 / 0.2e1 + … in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_k_pc07.c | 8025 double t2689, t2692, t2695, t2696, t2697, t2700, t2701, t2702; in func_pol() local
10219 t2695 = t869 * t350; in func_pol()
12963 t11485 = t337 * t2695; in func_pol()
13011 …15667e1 * t879 * t11609 * t2600 - 0.1568231334e2 * t2695 * t11609 * t2610 - 0.8451198658926e1 * t2… in func_pol()
13374 …t2695 * t13513 * t2610 - 0.784115667e1 * t879 * t13513 * t2600 + 0.36e2 * t163 * t13520 * t354 + 0… in func_pol()
13909 t16151 = t434 * t2695; in func_pol()
14311 t18487 = t506 * t2695; in func_pol()
15237 …31334e2 * t2695 * t1532 * t23084 + 0.522743778e1 * t870 * t1137 * t23088 - 0.8451198658926e1 * t46… in func_pol()
17119 …t2695 * t19431 * t4694 + 0.8451198658926e1 * t870 * t18806 * t4694 + 0.1408533109821e1 * t341 * t3… in func_pol()
17645 …41 * t36607 - 0.1568231334e2 * t2695 * t1862 * t875 * t1739 - 0.8451198658926e1 * t7759 * t30844 +… in func_pol()
[all …]
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| H A D | mgga_x_scanl.c | 7118 t2695 = t1691 * t121; in func_ferr()
13604 t2696 = t56 * t2695; in func_pol()
13607 t2704 = t2695 * t128; in func_pol()
13619 t2739 = t442 * t2695; in func_pol()
15897 t7984 = t1218 * t2695; in func_pol()
15908 t8029 = t2695 * t423; in func_pol()
15916 t8062 = t1265 * t2695; in func_pol()
17026 t11157 = t22 * t2695; in func_pol()
17028 t11161 = t2695 * t709; in func_pol()
23843 t48559 = t2695 * t2695; in func_pol()
[all …]
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| H A D | mgga_x_mvs.c | 2005 double t2693, t2695, t2696, t2697, t2701, t2702, t2703, t2704; in func_pol() local
3869 t2695 = t5 * t341 * t146; in func_pol()
3870 t2696 = t2695 * t1019; in func_pol()
4783 t4675 = t2695 * t1789; in func_pol()
5034 t6124 = t2695 * t2343; in func_pol()
5353 t7631 = t2695 * t2805; in func_pol()
5354 t7633 = t2695 * t2802; in func_pol()
5355 t7635 = t2695 * t2789; in func_pol()
5753 t8798 = t2695 * t3143 / 0.6144e4; in func_pol()
5755 t8805 = 0.17e2 / 0.301989888e9 * t2695 * t3149; in func_pol()
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| H A D | mgga_c_scanl.c | 1894 t2695 = t1007 * t328; in func_unpol()
7378 t2695 = t410 * t545; in func_ferr()
7380 t2698 = t2695 * t2697; in func_ferr()
15147 t2695 = t346 * t354; in func_pol()
15148 t2696 = t2695 * t115; in func_pol()
15157 t2707 = t2695 * t672; in func_pol()
17851 t8539 = t2695 * t1762; in func_pol()
17932 t8641 = t2695 * t1765; in func_pol()
24698 t30073 = t2695 * t29934; in func_pol()
32051 t67502 = t2695 * t8588; in func_pol()
[all …]
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| H A D | mgga_x_mbrxc_bg.c | 2679 t2695 = t368 * t46; in func_unpol()
2680 t2696 = t2695 * t2688; in func_unpol()
3180 t4052 = t2695 * t4043; in func_unpol()
3495 t4884 = t2695 * t4883; in func_unpol()
3713 t5427 = t2695 * t5418; in func_unpol()
4300 t6871 = t2695 * t6870; in func_unpol()
4476 t7293 = t2695 * t7284; in func_unpol()
5256 t9942 = t2695 * t9930; in func_unpol()
14315 t2695 = t422 * t214; in func_ferr()
14316 t2696 = t643 * t2695; in func_ferr()
[all …]
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| H A D | mgga_x_br89.c | 27947 double t2687, t2689, t2690, t2691, t2694, t2695, t2698, t2699; in func_pol() local
35187 t2695 = t2694 * t668; in func_pol()
35194 …t2713 = t1994 - 0.2e1 * t2691 * t193 - t2695 * t670 / 0.3e1 - t450 * t2699 + 0.2e1 * t2695 * t676 … in func_pol()
44694 …0.2e1 - 0.2e1 * t1727 * t14773 + 0.2e1 * t2695 * t3398 + 0.4e1 / 0.3e1 * t1727 * t14778 - 0.4e1 / … in func_pol()
47546 …10e2 / 0.3e1 * t14734 * t17747 - 0.4e1 / 0.3e1 * t2695 * t16066 - 0.4e1 * t14730 * t2169 + 0.2e1 *… in func_pol()
48422 …1 * t2695 * t19458 - t1723 * t20571 - t450 * t20574 + 0.6e1 * t14786 * t2538 + 0.2e1 * t2691 * t24… in func_pol()
61986 …3 * t525 * t84925 + 0.4e1 * t8035 * t3051 * t84843 - 0.2e1 * t2695 * t23181 + 0.12e2 * t2695 * t23… in func_pol()
75455 …838 * t140344 - t145519 + 0.24e2 * t84834 * t16455 + 0.4e1 * t2695 * t135533 - 0.6e1 * t2695 * t13… in func_pol()
77817 …10 + 0.2e1 * t2695 * t156739 + 0.24e2 * t84834 * t19920 - t2013 + t1994 - t19005 + t19006 + t19007… in func_pol()
78128 …t163936 = 0.22e2 * t2695 * t21613 * t21079 - t450 * t525 * t41 * t163402 + 0.4e1 / 0.3e1 * t2695 *… in func_pol()
[all …]
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| H A D | mgga_c_m06l.c | 3320 double t2682, t2684, t2686, t2687, t2689, t2690, t2693, t2695; in func_ferr() local
4811 t2695 = 0.38863375000000000000e-2 * t2286 * t391; in func_ferr()
5567 double t2690, t2691, t2693, t2694, t2695, t2696, t2697, t2699; in func_pol() local
8759 t2695 = t587 * t582; in func_pol()
8760 t2696 = t586 * t2695; in func_pol()
8767 t2706 = t2167 * t2695; in func_pol()
11836 t8146 = t2778 * t2695; in func_pol()
12049 t8678 = t7964 * t2695; in func_pol()
12124 t8828 = t5091 * t2695; in func_pol()
13797 t11816 = t11224 * t2695; in func_pol()
[all …]
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| H A D | mgga_c_vsxc.c | 181 double t2674, t2675, t2685, t2686, t2688, t2691, t2695, t2696; in func_unpol() local
3183 double t2682, t2683, t2692, t2695, t2698, t2700, t2707, t2708; in func_pol() local
5632 t2695 = t52 * t139; in func_pol()
5633 t2698 = -0.16e2 / 0.3e1 * t562 * t2692 - 0.40e2 / 0.3e1 * t1765 * t2695; in func_pol()
9200 t9275 = t2695 * t347; in func_pol()
9336 t9474 = t2695 * t644; in func_pol()
12925 t29355 = t2695 * t1424; in func_pol()
12928 t29389 = t2695 * t1414; in func_pol()
12989 t29901 = t2695 * t14068; in func_pol()
13059 t30437 = t2695 * t2109; in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_n12.c | 1128 double t2695, t2697, t2699, t2701, t2703, t2705, t2707, t2709; in func_pol() local
2356 t2695 = t16 * t487; in func_pol()
2357 t2697 = t996 * t2695 * t998; in func_pol()
3030 …0.3e1 - 0.7e1 / 0.6e1 * t5225 - t996 * t16 * t918 * t998 / 0.2e1 - t996 * t2695 * t1738 / 0.2e1 - … in func_pol()
3130 ….2e1 / 0.3e1 * t996 * t16 * t1060 * t998 - t996 * t2695 * t2161 / 0.3e1 + 0.2e1 / 0.9e1 * t2187 * … in func_pol()
3182 …t6605 = -t996 * t997 * t388 * t2762 / 0.2e1 - t996 * t2695 * t2699 / 0.2e1 - t996 * t997 * t3036 *… in func_pol()
3186 …5 * t926 * t3067 * t208 / 0.6e1 + t2171 * t2707 * t2703 / 0.3e1 + t2187 * t2695 * t2715 / 0.3e1 + … in func_pol()
3225 …t6996 = 0.2e1 / 0.3e1 * t2187 * t997 * t1112 * t1121 - 0.2e1 * t996 * t2695 * t3081 - 0.2e1 / 0.3e… in func_pol()
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| H A D | gga_c_revtca.c | 1263 double t2678, t2680, t2688, t2689, t2691, t2692, t2694, t2695; in func_pol() local
3389 t2695 = t2694 * t993; in func_pol()
3391 t2697 = t2695 * t2696; in func_pol()
6169 t10458 = t2695 * t5769 * t2582; in func_pol()
6205 t10513 = t2695 * t5757 * t2582; in func_pol()
6207 t10516 = t2695 * t5744 * t2582; in func_pol()
6817 t11629 = t2695 * t1841 * t11472; in func_pol()
6821 t11636 = t2695 * t8454 * t2582; in func_pol()
6825 t11643 = t2695 * t8436 * t2582; in func_pol()
6889 t11765 = t2695 * t8816 * t2582; in func_pol()
[all …]
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| H A D | gga_x_ft97.c | 1075 double t2633, t2635, t2662, t2666, t2670, t2678, t2682, t2695; in func_pol() local
2309 t2695 = t7 * t149 * t1232; in func_pol()
2310 …/ 0.6e1 + t2495 / 0.9e1 - t2498 / 0.3e1 + t2523 / 0.3e1 + t2205 + t2209 - t2695 / 0.8e1 + t2554 / … in func_pol()
2343 …t2982 = -0.3e1 / 0.8e1 * t7 * t54 * t2941 - t2695 / 0.2e1 + t2554 / 0.2e1 - 0.5e1 / 0.9e1 * t2297 … in func_pol()
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| H A D | gga_x_2d_b86.c | 537 double t2660, t2662, t2663, t2683, t2695, t2699, t2703, t2705; in func_pol() local
2017 t2695 = t278 * t278; in func_pol()
2019 … * t1268 + 0.64453018024495678224e-1 * t104 * t381 - 0.6e1 * t137 * t47 * t2695 - 0.3e1 / 0.2e1 * … in func_pol()
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| H A D | gga_x_sfat_pbe.c | 1721 double t2693, t2694, t2695, t2696, t2699, t2700, t2705, t2710; in func_ferr() local
2685 t2695 = t1456 * t2439; in func_ferr()
2686 t2696 = t2695 * t2346; in func_ferr()
2777 t3276 = t2695 * t3079; in func_ferr()
2927 t4523 = t2695 * t3953; in func_ferr()
3003 t5087 = t2695 * t106; in func_ferr()
3295 double t2681, t2683, t2685, t2687, t2689, t2691, t2693, t2695; in func_pol() local
4930 t2695 = t608 * t931 * t2693; in func_pol()
4934 …/ 0.6e1 + t2679 / 0.9e1 + t2683 / 0.3e1 - t2687 / 0.6e1 + t2691 / 0.9e1 - t2695 / 0.3e1 + 0.525548… in func_pol()
6558 …e1 * t2679 + 0.2e1 / 0.3e1 * t2683 - t2687 / 0.3e1 + 0.2e1 / 0.9e1 * t2691 - 0.2e1 / 0.3e1 * t2695; in func_pol()
[all …]
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| H A D | gga_k_lc94.c | 1007 double t2668, t2671, t2674, t2679, t2688, t2689, t2695, t2719; in func_pol() local
2160 t2695 = t558 * t558; in func_pol()
2163 … + 0.24e2 * t2688 * t2689 - 0.36e2 * t1210 * t537 * t558 + 0.6e1 * t536 * t2695 + 0.8e1 * t536 * t… in func_pol()
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| H A D | gga_c_pbeloc.c | 1988 double t2677, t2680, t2681, t2682, t2685, t2688, t2694, t2695; in func_pol() local
4301 t2695 = t101 * t2694; in func_pol()
4306 …* t1815 - 0.25000000000000000000e-2 * t1820 - 0.19999999999999999999e-1 * t2695 * t2697 + t1825 - … in func_pol()
4633 …* t3466 - 0.11666666666666666666e-1 * t3469 - 0.19999999999999999999e-1 * t2695 * t3473 + 0.333333… in func_pol()
6361 …t7455 = -t7404 - 0.11999999999999999999e0 * t2695 * t117 * t109 * t590 * t571 - 0.1399999999999999… in func_pol()
6634 …9999999999999997e-1 * t2695 * t8303 * t8304 + t7435 + t7439 - 0.15000000000000000000e-1 * t7443 - … in func_pol()
6931 ….19999999999999999999e-1 * t2695 * t117 * t3471 * t571 - 0.46666666666666666664e-1 * t9927 - 0.199… in func_pol()
7232 …995e-1 * t8298 * t117 * t109 * t3702 * t263 - 0.59999999999999999997e-1 * t2695 * t117 * t3471 * t… in func_pol()
7235 …* t8265 + 0.83333333333333333330e-3 * t8292 - 0.59999999999999999996e-1 * t2695 * t8303 * t11699 +… in func_pol()
7288 … t10584 * t1209 / 0.256e3 + 0.119e3 / 0.4608e4 * t10921 - 0.3e1 / 0.4e1 * t2695 * t117 * t11699 + … in func_pol()
[all …]
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| H A D | gga_k_dk.c | 910 double t2680, t2685, t2688, t2689, t2695, t2700, t2706, t2712; in func_pol() local
2500 t2695 = t1025 * t1094; in func_pol()
2504 …e1 / 0.3e1 * t2689 - t1019 * t432 * t489 * t384 / 0.9e1 + 0.4e1 / 0.9e1 * t2695 - 0.2e1 / 0.3e1 * … in func_pol()
2558 …/ 0.9e1 * t2680 + 0.4e1 / 0.3e1 * t2685 + 0.2e1 * t2689 + 0.2e1 / 0.3e1 * t2695 - 0.2e1 * t2700 + … in func_pol()
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| H A D | gga_xc_th2.c | 493 double t2678, t2695, t2702, t2705, t2708, t2711, t2731, t2734; in func_pol() local
1470 …t2695 = -0.72032600000000000000e-1 * t78 * t2656 + 0.17862480000000000000e0 * rho[1] * t1092 + 0.3… in func_pol()
1479 v3rho2sigma[6] = t2695 + t2737; in func_pol()
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| H A D | gga_c_gapc.c | 1741 t2695 = t76 * t406; in func_unpol()
1742 t2696 = t788 * t2695; in func_unpol()
5875 t2695 = t2694 * t322; in func_ferr()
11506 t2695 = t2294 * t95; in func_pol()
11507 t2696 = t2695 * t278; in func_pol()
13573 t7398 = t2695 * t2496; in func_pol()
13901 t8223 = t2695 * t882; in func_pol()
13934 t8319 = t2695 * t2745; in func_pol()
13944 t8358 = t2695 * t874; in func_pol()
15279 t10436 = t2695 * t1043; in func_pol()
[all …]
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| H A D | gga_c_pbe.c | 1507 double t2679, t2684, t2691, t2692, t2695, t2699, t2700, t2706; in func_pol() local
3326 t2695 = t900 * t920; in func_pol()
3336 …679 * t139 + 0.4e1 * t2684 * t901 - 0.6e1 * t899 * t2692 + 0.4e1 * t899 * t2695 + 0.2e1 * t899 * t… in func_pol()
4822 …336 * t899 * t900 - t1038 * t758 - 0.2e1 * t2262 * t371 + 0.8e1 * t2270 * t2695 + 0.8e1 * t2684 * … in func_pol()
4969 … t1062 - 0.3e1 * t2679 * t371 - 0.18e2 * t2684 * t2692 + 0.12e2 * t2684 * t2695 + 0.6e1 * t2684 * … in func_pol()
5435 …t1061 - t3569 * t1118 - 0.12e2 * t3355 * t3356 * t10868 + 0.4e1 * t3340 * t2695 + t1114 * t10874 *… in func_pol()
5478 …t10751 - 0.4e1 * t9812 * t1200 * t3388 + t10734 * t1148 + 0.4e1 * t3459 * t2695 + 0.4e1 * t1173 * … in func_pol()
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| H A D | gga_x_sfat.c | 143 double t2685, t2695, t2702, t2704, t2711, t2717, t2729, t2734; in func_unpol() local
1128 t2695 = t1211 * t506 * t366; in func_unpol()
1129 …* t55 * t2651 - 0.32e2 / 0.9e1 * t53 * t926 * t46 * t927 - 0.8e1 * t554 * t2695 + 0.8e1 / 0.27e2 *… in func_unpol()
1157 …7338363e3 * t207 * t1211 * t45 * t927 - 0.22619467105846511318e3 * t207 * t2695 - 0.16755160819145… in func_unpol()
3079 double t2681, t2684, t2687, t2689, t2692, t2693, t2695, t2697; in func_pol() local
4599 t2695 = t325 * t326 * t2693; in func_pol()
4618 …t2732 = -t2692 - t2695 / 0.2e1 + t2699 + t2702 - t2707 / 0.2e1 - t2711 / 0.2e1 - t2716 / 0.2e1 - t… in func_pol()
5987 …e1 - 0.2e1 / 0.3e1 * t2681 - t2684 / 0.3e1 - t2687 / 0.9e1 - 0.2e1 * t2692 - t2695 + 0.2e1 * t2699; in func_pol()
6034 …- 0.2e1 * t2681 - t2684 - t2687 / 0.3e1 - 0.3e1 * t2692 - 0.3e1 / 0.2e1 * t2695 + 0.3e1 * t2699 + … in func_pol()
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| H A D | gga_x_gg99.c | 145 double t2657, t2675, t2679, t2695, t2696, t2699, t2702, t2708; in func_unpol() local
1170 t2695 = 0.3640e4 / 0.81e2 * t10 / t6 / t905 / rho[0]; in func_unpol()
1171 t2696 = my_piecewise3(t29, 0, t2695); in func_unpol()
1242 t3146 = my_piecewise3(t54, t2695, 0); in func_unpol()
3554 double t2689, t2691, t2693, t2694, t2695, t2704, t2708, t2709; in func_pol() local
5634 t2695 = t2694 * t844; in func_pol()
5635 …2686 - 0.4e1 / 0.9e1 * t2689 + 0.4e1 / 0.81e2 * t2691 + 0.14e2 / 0.27e2 * t2695 + 0.4e1 / 0.81e2 *… in func_pol()
5745 …t2890 = 0.8e1 / 0.81e2 * t2691 - 0.4e1 / 0.27e2 * t2695 - 0.2e1 / 0.81e2 * t2850 - t2852 / 0.9e1 -… in func_pol()
7953 … 0.9e1 * t2681 - t8512 - 0.4e1 / 0.3e1 * t2689 + t3388 + 0.14e2 / 0.9e1 * t2695 + 0.2e1 / 0.9e1 * … in func_pol()
7964 …2685 - 0.8e1 / 0.9e1 * t2689 + 0.8e1 / 0.27e2 * t2691 + 0.20e2 / 0.27e2 * t2695 - 0.4e1 / 0.81e2 *… in func_pol()
[all …]
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| H A D | gga_x_wpbeh.c | 157 double t2681, t2687, t2688, t2691, t2692, t2695, t2697, t2702; in func_unpol() local
1808 t2695 = t152 * t2035; in func_unpol()
1810 …t2702 = 0.18591590853463565788e1 * t2692 * t390 - 0.12394393902309043859e1 * t2695 - 0.20990203539… in func_unpol()
6647 double t2690, t2695, t2696, t2697, t2700, t2703, t2706, t2711; in func_ferr() local
8283 t2695 = t1461 * t198; in func_ferr()
12035 …t2695 * t20686 - 0.27908152190772592440e1 * t6896 * t8045 - 0.16279755444617345589e1 * t8080 * t63… in func_ferr()
13045 double t2694, t2695, t2696, t2697, t2699, t2701, t2709, t2710; in func_pol() local
17496 t2695 = t653 * t664; in func_pol()
17497 t2696 = 0.154430922e0 * t2695; in func_pol()
17529 t2763 = 0.2e1 * t2695; in func_pol()
[all …]
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| H A D | gga_x_ityh.c | 2548 double t2692, t2695, t2696, t2706, t2710, t2714, t2726, t2732; in func_pol() local
4006 t2695 = t133 * t1772; in func_pol()
4007 t2696 = t2695 * t2484; in func_pol()
4723 t4632 = t2695 * t4631; in func_pol()
5118 …e3 * t2479 * t7221 * t2484 + 0.120e3 * t7130 * t2696 + 0.1080e4 * t2479 * t2695 * t7135 - 0.32e2 /… in func_pol()
5978 …2479 * t9372 * t4631 - 0.8e1 / 0.3e1 * t13344 * t454 + 0.1080e4 * t2479 * t2695 * t14003 - 0.540e3… in func_pol()
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