| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_scan_e0.c | 1523 double t2587, t2591, t2595, t2597, t2600, t2602, t2605, t2607; in func_pol() local
3358 t2600 = t5 * t979; in func_pol()
3359 t2602 = t823 * t2600 * t825; in func_pol()
3362 t2609 = t823 * t2600 * t2607; in func_pol()
3371 t2634 = t612 * t2600 * t614; in func_pol()
3373 t2642 = t823 * t2600 * t282; in func_pol()
3377 t2655 = t612 * t2600 * t1400; in func_pol()
3489 t2959 = t612 * t2600 * t2957; in func_pol()
3494 t2973 = t612 * t2600 * t990; in func_pol()
4909 …t2600 * t4727 + 0.10975748638225852664e0 * t610 * t612 * t6939 * t614 + 0.57829097596741960691e-3 … in func_pol()
[all …]
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| H A D | gga_xc_th1.c | 559 double t2555, t2577, t2578, t2580, t2589, t2592, t2595, t2600; in func_pol() local
1569 t2600 = t97 * t79; in func_pol()
1573 … * t666 + 0.4e1 / 0.3e1 * t2595 * t670 + 0.20e2 / 0.9e1 * t2600 * t666 + 0.4e1 / 0.3e1 * t2600 * t… in func_pol()
2155 …t1056 * t5233 / 0.3e1 + 0.20e2 / 0.3e1 * t2595 * t1310 + 0.20e2 / 0.3e1 * t2600 * t1310 + 0.20e2 /… in func_pol()
2213 …t1056 * t5598 / 0.9e1 + 0.40e2 / 0.9e1 * t2595 * t5603 + 0.40e2 / 0.9e1 * t2600 * t5603 + t1053 * … in func_pol()
2216 … * t1050 * t5656 + t1050 * t5653 / 0.3e1 + 0.28e2 / 0.27e2 * t1053 * t5656 - 0.4e1 * t2600 * t1608; in func_pol()
2219 …608 + 0.40e2 / 0.27e2 * t2600 * t1595 - 0.320e3 / 0.27e2 * t5696 * t666 - 0.64e2 / 0.9e1 * t5696 *… in func_pol()
2306 …27e2 * t2600 * t1967 + 0.40e2 / 0.27e2 * t2605 * t1967 + 0.40e2 / 0.27e2 * t2610 * t1967 - 0.4e1 /… in func_pol()
2315 …t1056 * t6314 / 0.9e1 + 0.40e2 / 0.9e1 * t2595 * t6339 + 0.40e2 / 0.9e1 * t2600 * t6339 + 0.40e2 /… in func_pol()
2368 …0.6e1 * t2592 * t2877 + 0.20e2 / 0.3e1 * t2595 * t2142 + 0.20e2 / 0.3e1 * t2600 * t2142 + 0.20e2 /… in func_pol()
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| H A D | gga_c_op_g96.c | 2245 t2600 = t667 * t670; in func_pol()
2247 t2602 = t2600 * t2601; in func_pol()
2424 t2998 = t2600 * t1834; in func_pol()
2699 t3617 = t2600 * t160; in func_pol()
3854 t9645 = t2600 * t5600; in func_pol()
3866 t9708 = t2600 * t9707; in func_pol()
4097 t10948 = t2600 * t1835; in func_pol()
4353 t12732 = t2600 * t7774; in func_pol()
4354 t12735 = t2600 * t7789; in func_pol()
4497 t14118 = t2600 * t14117; in func_pol()
[all …]
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| H A D | gga_c_w94.c | 567 double t2598, t2600, t2602, t2604, t2607, t2613, t2625, t2631; in func_pol() local
1696 t2600 = t950 * t787; in func_pol()
1697 …* t710 * t178 + 0.5e1 / 0.3e1 * t350 * t698 * t178 - 0.5e1 / 0.6e1 * t2598 + 0.5e1 / 0.3e1 * t2600; in func_pol()
1734 …8 * t196 + 0.25e2 / 0.18e2 * t1040 * t2336 * t184 - 0.5e1 / 0.3e1 * t2598 + 0.10e2 / 0.3e1 * t2600; in func_pol()
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| H A D | gga_k_meyer.c | 1326 double t2572, t2584, t2596, t2597, t2600, t2609, t2610, t2616; in func_pol() local
2546 t2600 = 0.16e2 / 0.45e2 * t1021; in func_pol()
2547 …t2609 = 0.4e1 * t1014 + 0.2e1 * t1017 + t2600 - 0.4e1 / 0.9e1 * t1028 + 0.8e1 / 0.3e1 * t1031 + 0.… in func_pol()
2555 …t2626 = 0.3e1 / 0.2e1 * t1108 - 0.3e1 / 0.2e1 * t1112 + t2600 + 0.2e1 * t1115 + t1119 + t1124 - 0.… in func_pol()
2601 …98 + 0.8e1 / 0.3e1 * t1101 + 0.2e1 / 0.5e1 * t1209 - 0.2e1 / 0.5e1 * t1104 + t1108 - t1112 + t2600; in func_pol()
2635 …t3074 = -t1088 - 0.2e1 * t1095 + t2616 + 0.6e1 / 0.5e1 * t1209 - 0.3e1 / 0.5e1 * t1104 + t2600 - t… in func_pol()
2698 …/ 0.5e1 * t1209 + 0.2e1 * t1393 + 0.4e1 * t1396 + 0.6e1 * t1398 + t2596 + t2600 - 0.4e1 / 0.5e1 * … in func_pol()
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| H A D | gga_x_pbeint.c | 776 double t2528, t2539, t2550, t2591, t2594, t2597, t2600, t2603; in func_pol() local
1889 t2600 = t172 * t292 * t1135; in func_pol()
1891 …48 * t8 - t2591 / 0.6e1 - t2594 / 0.2e1 - t2597 / 0.2e1 + 0.3e1 / 0.4e1 * t2600 + t2603 - t2395 / … in func_pol()
1907 …* t2330 - 0.2e1 / 0.3e1 * t2591 - 0.2e1 * t2594 - 0.2e1 * t2597 + 0.3e1 * t2600 + 0.4e1 * t2603 + … in func_pol()
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| H A D | gga_x_lg93.c | 1030 double t2584, t2587, t2589, t2591, t2593, t2598, t2599, t2600; in func_pol() local
2838 t2600 = t141 * t2599; in func_pol()
2854 …t2674 = -0.20e2 / 0.27e2 * t2600 - 0.13874444444444444444e-1 * t2603 + 0.12487000000000000000e-1 *… in func_pol()
2940 …310000000000e-2 * t2571 + t2584 / 0.3e1 - t2587 / 0.6e1 - 0.5e1 / 0.9e1 * t2600 - 0.10405833333333… in func_pol()
2999 …2 - 0.20291916103333333334e-2 * t2571 + t2584 / 0.9e1 - 0.10e2 / 0.27e2 * t2600 - 0.69372222222222… in func_pol()
3054 …0.9e1 * t3069 + t3073 / 0.3e1 - 0.5e1 / 0.27e2 * t2540 - 0.5e1 / 0.27e2 * t2600 - 0.34686111111111… in func_pol()
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| H A D | gga_c_lyp.c | 540 double t2588, t2589, t2592, t2593, t2597, t2599, t2600, t2602; in func_pol() local
1780 t2600 = t18 * t1016; in func_pol()
1781 t2602 = t906 * t907 * t2600; in func_pol()
2714 t6572 = t2420 * t2421 * t2600; in func_pol()
2718 t6586 = t331 * t2432 * t2600; in func_pol()
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| H A D | gga_c_tca.c | 876 double t2580, t2581, t2583, t2591, t2599, t2600, t2603, t2612; in func_pol() local
2176 t2600 = 0.90332850251292106440e-1 * t2548; in func_pol()
2177 …46164261343790699e0 * t2364 + 0.78182099435863406963e-1 * t2540 - t2599 - t2600 - 0.11957950315158… in func_pol()
2208 …4 + 0.15636419887172681393e0 * t2540 - 0.10820605903328567222e1 * t2543 - t2600 - 0.23915900630317… in func_pol()
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| H A D | gga_c_sogga11.c | 1580 double t2581, t2586, t2591, t2600, t2603, t2608, t2619, t2622; in func_ferr() local
2453 t2600 = t892 * t2506; in func_ferr()
2457 … t176 * t2503 + 0.42e2 * t2269 * t388 + 0.36e2 * t2524 * t421 + 0.720e3 * t2600 * t406 - 0.144e3 *… in func_ferr()
2461 …t176 * t2603 + 0.24e2 * t2265 * t293 - 0.216e3 * t2549 * t293 + 0.216e3 * t2600 * t293 + 0.108e3 *… in func_ferr()
2468 … 0.24e2 * t2506 * t2697 + 0.72e2 * t2506 * t2700 - 0.288e3 * t2519 * t890 + 0.432e3 * t2600 * t409; in func_ferr()
2948 double t2594, t2597, t2598, t2600, t2603, t2604, t2605, t2608; in func_pol() local
5236 t2600 = t319 * t804; in func_pol()
5240 … * t104 - 0.16218203069444444444e-2 * t2598 + 0.27802633833333333332e-2 * t2600 * t808 - 0.4170395… in func_pol()
7184 …* t6747 - 0.19461843683333333332e-1 * t7166 + 0.41703950749999999998e-2 * t2600 * t1911 + 0.834079… in func_pol()
7406 … * t789 * t804 * t808 + 0.55605267666666666664e-2 * t2600 * t2232 - 0.83407901499999999996e-2 * t2… in func_pol()
[all …]
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| H A D | gga_x_q2d.c | 1147 double t2545, t2546, t2547, t2570, t2584, t2596, t2598, t2600; in func_pol() local
2908 t2600 = -0.12e2 * t959 + 0.12e2 * t2598; in func_pol()
2915 …* t129 * t342 * t963 - t129 * t130 * t72 * t2600 / 0.2e1 - 0.2e1 / 0.3e1 * t2606 + t197 * t198 * t… in func_pol()
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| H A D | gga_x_htbs.c | 1167 double t2550, t2556, t2571, t2581, t2584, t2585, t2596, t2600; in func_pol() local
2337 …t2600 = t2571 * t63 - t2571 * t68 + 0.64641600e0 * t233 * t2543 + 0.387849600e1 * t1221 * t505 + 0… in func_pol()
2342 …62103917416332e-4 * t481 * t2503 * t66 - 0.41944031231462577189e-7 * t2523 * t2556, t2600 + t2632); in func_pol()
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| H A D | gga_x_am05.c | 1720 double t2600, t2604, t2605, t2620, t2623, t2624, t2627, t2630; in func_pol() local
3049 t2600 = t958 * t2599; in func_pol()
3064 … + t2593 * t2217 / 0.144e3 - 0.2e1 / 0.9e1 * t112 * t289 * t1130 + t957 * t2600 / 0.36e2 + t1331 *… in func_pol()
3705 …7 * t1850 + 0.65e2 / 0.324e3 * t2339 * t2682 - 0.65e2 / 0.324e3 * t2342 * t2600 + t413 * t2316 / 0… 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 | 10183 t2600 = t873 * t159; in func_pol()
10184 t2601 = t2599 * t2600; in func_pol()
10191 t2614 = t2609 * t2600; in func_pol()
10464 t3305 = t1137 * t2600; in func_pol()
10468 t3311 = t3310 * t2600; in func_pol()
10477 t3325 = t3324 * t2600; in func_pol()
10507 t3425 = t3419 * t2600; in func_pol()
10722 t4050 = t1359 * t2600; in func_pol()
10731 t4093 = t4053 * t2600; in func_pol()
10736 t4108 = t4067 * t2600; in func_pol()
[all …]
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| H A D | mgga_x_edmgga.c | 1766 double t2597, t2600, t2610, t2611, t2627, t2641, t2642, t2651; in func_ferr() local
2647 t2600 = t44 * t2550; in func_ferr()
2748 …15243447427901234237e2 * t731 * t312 * t3492 - 0.13278652291933993376e0 * t2600 * t343 * t3496 - 0… in func_ferr()
2782 …t3858 = 0.10622921833547194700e0 * t826 * t383 * t3268 - 0.13278652291933993376e0 * t2600 * t383 *… in func_ferr()
2828 …15243447427901234237e2 * t731 * t357 * t3829 - 0.13278652291933993376e0 * t2600 * t383 * t3492 - 0… in func_ferr()
2914 …76217237139506171188e1 * t256 * t5109 * t313 - 0.13278652291933993376e0 * t2600 * t383 * t4812 + 0… in func_ferr()
2942 …t5390 = -0.13278652291933993376e0 * t2600 * t1406 * t1208 + 0.10622921833547194700e0 * t826 * t343… in func_ferr()
3040 …15243447427901234237e2 * t731 * t561 * t5105 - 0.13278652291933993376e0 * t2600 * t383 * t6300 + 0… in func_ferr()
3064 …t6692 = -0.13278652291933993376e0 * t2600 * t1587 * t1494 + 0.10622921833547194700e0 * t826 * t383… in func_ferr()
3150 …3114609167735973502e-1 * t826 * t1519 * t427 - 0.13278652291933993376e0 * t2600 * t383 * t4819 - 0… in func_ferr()
[all …]
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| H A D | mgga_c_pkzb.c | 5821 t2600 = t786 * t588; in func_pol()
8545 t8384 = t2600 * t2604; in func_pol()
13804 t20012 = t2600 * t5533; in func_pol()
13805 t20014 = t2600 * t5536; in func_pol()
13904 t20503 = t2600 * t5530; in func_pol()
13906 t20505 = t2600 * t5548; in func_pol()
14359 t23662 = t2600 * t6269; in func_pol()
14369 t23753 = t2600 * t6221; in func_pol()
14377 t23793 = t2600 * t6324; in func_pol()
14450 t24415 = t2600 * t6217; in func_pol()
[all …]
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| H A D | hyb_mgga_x_m05.c | 1125 double t2583, t2588, t2593, t2600, t2617, t2683, t2687, t2691; in func_ferr() local
1897 t2600 = t93 * t813; in func_ferr()
1898 …3080e4 / 0.27e2 * t73 * t2588 + 0.440e3 / 0.3e1 * t85 * t2600 + 0.4400e4 / 0.27e2 * t190 * t2600 +… in func_ferr()
2228 double t2593, t2594, t2596, t2597, t2598, t2600, t2601, t2603; in func_pol() local
3731 t2600 = 0.3e1 * t619 + 0.3e1 * t1876; in func_pol()
3732 t2601 = t192 * t2600; in func_pol()
3735 t2605 = -t2600; in func_pol()
5064 t6352 = t191 * t2600; in func_pol()
5151 … * t940 - 0.3e1 * t319 * t19 * t1152 * t953 - 0.2e1 * t319 * t19 * t439 * t2600 - t319 * t19 * t19… in func_pol()
5260 … t347 * t3080 * t953 - 0.29562081382197517859e-2 * t1194 * t347 * t1195 * t2600 + 0.29201937702639… in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 2555 double t2600, t2601, t2603, t2605, t2606, t2609, t2611, t2613; in func_pol() local
4339 t2600 = t2579 * t40; in func_pol()
4340 t2601 = t263 * t2600; in func_pol()
4358 t2633 = t2600 * t96; in func_pol()
4370 t2657 = t269 * t2600; in func_pol()
4379 t2672 = t255 * t2600; in func_pol()
6005 …t2600 + 0.5e1 / 0.9e1 * t2114 * t907 + 0.5e1 / 0.3e1 * t7630 * t236 - 0.25e2 / 0.216e3 * t7633 * t… in func_pol()
6300 …t3288 * t686 + 0.25e2 / 0.81e2 * t9184 * t695 - 0.110e3 / 0.81e2 * t957 * t2600 - 0.25e2 / 0.486e3… in func_pol()
6313 …79 * t907 + 0.475e3 / 0.2916e4 * t724 * t9195 + 0.110e3 / 0.81e2 * t934 * t2600 - 0.25e2 / 0.486e3… in func_pol()
6479 …10e2 / 0.27e2 * t3070 * t907 - 0.55e2 / 0.81e2 * t1103 * t2600 + 0.55e2 / 0.81e2 * t1086 * t2600 +… in func_pol()
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| H A D | mgga_x_task.c | 139 double t2600, t2604, t2606, t2607, t2610, t2613, t2618, t2619; in func_unpol() local
1149 t2600 = t850 * t2590; in func_unpol()
1162 …t2600 * t2607 - 0.34833216000000000000e5 * t860 * t2613 - 0.13702076328386666459e3 * t2618 * t2619… in func_unpol()
1621 double t2597, t2600, t2602, t2609, t2611, t2640, t2641, t2649; in func_ferr() local
2634 t2600 = 0.1e1 / t140; in func_ferr()
2635 t2602 = 0.40e2 / 0.9e1 * t2600 * t35; in func_ferr()
2644 … 0.75150049173473460730e5 * t280 * t10 * t63 + 0.65261454422507759436e4 * t2600 * t66 * t70 + 0.90… in func_ferr()
3161 double t2600, t2601, t2603, t2604, t2606, t2607, t2612, t2613; in func_pol() local
4724 t2600 = t794 * t795 * t2598; in func_pol()
4725 t2601 = t2600 / 0.2e1; in func_pol()
[all …]
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| H A D | mgga_x_rscan.c | 183 double t2584, t2589, t2590, t2593, t2600, t2603, t2607, t2610; in func_unpol() local
2083 t2600 = t810 * t279 * t91; in func_unpol()
14362 double t2590, t2593, t2594, t2597, t2600, t2601, t2603, t2605; in func_pol() local
17448 t2601 = t2600 * t187; in func_pol()
19821 t7657 = t2600 * t621; in func_pol()
21040 t11284 = t2600 * t1027; in func_pol()
21821 t12593 = t3292 * t2600; in func_pol()
21876 t12730 = t2600 * t1241; in func_pol()
26930 t33851 = t2600 * t2600; in func_pol()
28857 …t2600 * t3883 - 0.6e1 * t1369 * t2601 * t3880 + 0.6e1 * t1369 * t2603 * t3880 + 0.6e1 * t1369 * t2… in func_pol()
[all …]
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| H A D | mgga_x_scan.c | 1640 double t2552, t2564, t2569, t2572, t2600, t2610, t2614, t2633; in func_ferr() local
2623 t2600 = t74 * t128 * t980; in func_ferr()
2625 …e3 * t504 * t959 - 0.500e3 / 0.81e2 * t501 * t385 + 0.6250e4 / 0.6561e4 * t2600 * t19 * t910 * t36… in func_ferr()
2658 … * t959 - 0.500e3 / 0.243e3 * t507 * t595 * t903 - 0.50000e5 / 0.6561e4 * t2600 * t51 * t910 * t36… in func_ferr()
2684 …t128 * t3189 - 0.125e3 / 0.1296e4 * t663 * t3192 - 0.3125e4 / 0.26244e5 * t2600 * t35 * t350 * t36… in func_ferr()
2703 …* t128 * t3189 + 0.125e3 / 0.162e3 * t737 * t3192 + 0.6250e4 / 0.6561e4 * t2600 * t719 * t350 * t3… in func_ferr()
2746 …* t128 * t3189 - 0.500e3 / 0.81e2 * t789 * t3192 - 0.50000e5 / 0.6561e4 * t2600 * t427 * t350 * t3… in func_ferr()
2762 …84 + 0.625e3 / 0.23328e5 * t1821 * t128 * t4155 + 0.3125e4 / 0.209952e6 * t2600 * t209 * t26 * t41… in func_ferr()
2775 …1822 - 0.625e3 / 0.2916e4 * t1947 * t128 * t4155 - 0.3125e4 / 0.26244e5 * t2600 * t1918 * t26 * t4… in func_ferr()
2795 …t1948 + 0.1250e4 / 0.729e3 * t2049 * t128 * t4155 + 0.6250e4 / 0.6561e4 * t2600 * t3427 * t4159 - … in func_ferr()
[all …]
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| H A D | mgga_x_tpss.c | 1865 double t2595, t2600, t2604, t2605, t2611, t2623, t2624, t2625; in func_ferr() local
2876 …t2600 = 0.292e3 / 0.675e3 * t2505 + 0.1168e4 / 0.2025e4 * t185 * t1050 + 0.292e3 / 0.2025e4 * t70 … in func_ferr()
2906 …t2753 = (t2600 + t2715) * t116 + 0.8e1 / 0.9e1 * t2719 * t183 + 0.4e1 / 0.9e1 * t2723 * t455 - 0.4… in func_ferr()
3533 double t2587, t2591, t2599, t2600, t2607, t2609, t2610, t2615; in func_pol() local
5144 t2600 = t167 * t2599; in func_pol()
5173 … t408 / 0.3e1 + 0.11e2 / 0.9e1 * t403 * t1034 - 0.154e3 / 0.81e2 * t166 * t2600 + 0.292e3 / 0.675e… in func_pol()
6920 …t2591 * t408 + 0.22e2 / 0.9e1 * t1027 * t1034 - 0.616e3 / 0.81e2 * t403 * t2600 + 0.2618e4 / 0.243… in func_pol()
7095 ….2025e4 * t2645 * t583 - t3209 * t408 / 0.3e1 - 0.154e3 / 0.81e2 * t563 * t2600 + 0.11e2 / 0.9e1 *… in func_pol()
7310 …1574 * t1084 + 0.11e2 / 0.9e1 * t1535 * t1034 - 0.154e3 / 0.81e2 * t674 * t2600 - 0.73e2 / 0.1200e… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn.c | 857 double t2587, t2600, t2602, t2606, t2610, t2614, t2622, t2626; in func_pol() local
1996 t2600 = 0.1e1 / t946 / t36; in func_pol()
2002 …1 * t110 * t939 * t953 + t110 * t565 * t960 / 0.3e1 + 0.6e1 * t110 * t9 * t2600 * t2602 - 0.9e1 * … in func_pol()
2008 …118 * t105 * t960 - 0.5e1 / 0.9e1 * t185 * t1895 * t2218 + 0.24e2 * t48 * t2600 * t2602 + 0.6e1 * … in func_pol()
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| H A D | lda_x_erf.c | 501 double t2589, t2593, t2594, t2595, t2597, t2600, t2601, t2602; in func_pol() local
1703 t2600 = t115 * t182 * t707; in func_pol()
1704 t2601 = t2600 / 0.36e2; in func_pol()
2642 t6608 = t2600 / 0.12e2; in func_pol()
2907 …5 / 0.2e1 + t3330 - t3334 / 0.4e1 - t3338 / 0.4e1 - t3342 / 0.4e1 + t2597 / 0.18e2 - t2600 / 0.9e1; in func_pol()
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| H A D | lda_c_pk09.c | 2428 double t2593, t2600, t2601, t2602, t2609, t2616, t2624, t2625; in func_pol() local
4224 …t2600 = t1305 - 0.40000000000000000000e1 * t2487 + t1307 + 0.13333333333333333333e1 * t2491 + t130… in func_pol()
4225 t2601 = t2600 * t1314; in func_pol()
6287 …t1304 * t1409 * t2601 * t546 + 0.41150663529849592833e-1 * t1304 * t295 * t2600 * t5285 * t1313 + … in func_pol()
6934 t14048 = t2600 * t2600; in func_pol()
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