| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_xc_th1.c | 558 double t2506, t2511, t2512, t2514, t2516, t2527, t2528, t2531; in func_pol() local
1553 t2512 = t2511 * t485; in func_pol()
1555 t2516 = 0.80e2 / 0.9e1 * t2512 + 0.16e2 / 0.3e1 * t2514 - t2343; in func_pol()
1559 … + 0.20e2 / 0.9e1 * t76 * t2512 + 0.20e2 / 0.9e1 * t97 * t2512 + 0.20e2 / 0.9e1 * t102 * t2512 + 0… in func_pol()
2182 …t2512 + 0.110e3 / 0.9e1 * t201 * t2512 + 0.40e2 / 0.3e1 * t206 * t2512 + 0.3e1 * t572 * t1101 + 0.… in func_pol()
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| H A D | gga_x_b88.c | 735 double t2435, t2440, t2445, t2450, t2455, t2477, t2488, t2512; in func_pol() local
1745 t2512 = 0.1e1 / t1047 / t63; in func_pol()
1751 …55 + 0.64e2 / 0.27e2 * t99 * t162 * t1087 + 0.16e2 / 0.3e1 * t99 * t154 * t2512 * t2513 - 0.8e1 * … in func_pol()
1829 …+ 0.2464e4 / 0.243e3 * t99 * t1065 * t215 + 0.16e2 / 0.3e1 * t99 * t154 * t2512 * t214 * t1049 - 0… in func_pol()
1897 … 0.3e1 * t99 * t154 * t1048 * t605 * t414 + 0.16e2 / 0.3e1 * t99 * t154 * t2512 * t585 * t414 - 0.… in func_pol()
1963 …437 + 0.32e2 / 0.9e1 * t99 * t162 * t1495 + 0.16e2 / 0.3e1 * t99 * t154 * t2512 * t1494 * t169 - 0… in func_pol()
2014 …3543 - 0.8e1 / 0.9e1 * t21 * t204 * t1523 + 0.16e2 / 0.3e1 * t99 * t154 * t2512 * t3662 - 0.8e1 * … in func_pol()
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| H A D | gga_c_hcth_a.c | 3276 t2512 = t951 * t1255; in func_pol()
4513 t5332 = t2512 * t2122 / 0.576e3; in func_pol()
4688 t5759 = t2512 * t2009 / 0.576e3; in func_pol()
6586 t13587 = t2512 * t5766; in func_pol()
6587 t13589 = t2512 * t5771; in func_pol()
6811 t15114 = t2512 * t5339; in func_pol()
6812 t15116 = t2512 * t5344; in func_pol()
7045 t16743 = t2512 * t6008; in func_pol()
7046 t16745 = t2512 * t6012; in func_pol()
7153 t17526 = t2512 * t6215; in func_pol()
[all …]
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| H A D | gga_x_rpbe.c | 530 double t2484, t2488, t2510, t2512, t2516, t2519, t2524, t2529; in func_pol() local
1664 t2512 = t1811 * t977; in func_pol()
1675 …v4rho3sigma[5] = -t2425 / 0.36e2 + t2428 - t2512 / 0.144e3 + t975 * t141 / 0.48e2 + t2516 / 0.54e2… in func_pol()
1690 …0 / 0.108e3 + 0.4e1 / 0.27e2 * t2612 - t2614 / 0.36e2 - t2616 / 0.648e3 + t2512 / 0.18e2 + t2519 -… in func_pol()
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| H A D | gga_x_am05.c | 1716 double t2512, t2513, t2516, t2517, t2526, t2527, t2530, t2535; in func_pol() local
2984 t2512 = t179 * t1028; in func_pol()
2997 …t2556 = -t33 * t2502 / 0.4e1 + t33 * t2506 / 0.6e1 + t2509 * t1434 / 0.1152e4 + t2512 * t2513 / 0.… in func_pol()
3112 …62 * t1063 / 0.96e2 - t2530 * t2109 / 0.384e3 + t2509 * t2106 / 0.384e3 + t2512 * t2830 / 0.96e2 -… in func_pol()
3621 …0.19e2 / 0.162e3 * t179 * t2118 * t190 + t2516 * t849 * t2102 / 0.144e3 - t2512 * t843 * t2102 / 0… in func_pol()
3623 …279 / 0.1152e4 + t366 * t2071 / 0.18e2 - t2516 * t849 * t2125 / 0.288e3 + t2512 * t843 * t2125 / 0… in func_pol()
3726 …t6458 = t853 * t2506 / 0.2e1 + t361 * t362 * t2483 / 0.192e3 + t2512 * t843 * t2526 / 0.96e2 - t21… in func_pol()
3728 …1343 - 0.7e1 / 0.3456e4 * t491 * t6471 * t1348 + t2516 * t1970 / 0.48e2 - t2512 * t1966 / 0.48e2 -… in func_pol()
3808 …4 / 0.192e3 - t2512 * t843 * t2800 / 0.24e2 + t2516 * t849 * t2800 / 0.24e2 + t2509 * t5477 / 0.19… in func_pol()
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| H A D | gga_x_ssb_sw.c | 713 double t2502, t2505, t2507, t2510, t2512, t2561, t2564, t2568; in func_pol() local
1741 t2512 = t23 * t735; in func_pol()
1748 …t2512 * t37 + 0.253e3 / 0.324e3 * t128 * t741 * t134 * t511 - 0.1025e4 / 0.1944e4 * t315 * t747 * … in func_pol()
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| H A D | gga_c_optc.c | 5583 t2512 = t345 * t345; in func_pol()
5584 t2513 = t2511 * t2512; in func_pol()
5644 t2641 = t2634 * t2512; in func_pol()
6010 t3470 = t1223 * t2512; in func_pol()
6078 t3636 = t2512 * t916; in func_pol()
6333 t4353 = t4352 * t2512; in func_pol()
6366 t4467 = t4440 * t2512; in func_pol()
7682 t7493 = t7492 * t2512; in func_pol()
7686 t7499 = t2512 * t345; in func_pol()
7702 t7528 = t2510 * t2512; in func_pol()
[all …]
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| H A D | gga_x_pw91.c | 1024 double t2483, t2485, t2487, t2490, t2496, t2499, t2506, t2512; in func_pol() local
2190 t2512 = t7 * t801 * t1102; in func_pol()
2196 … t435 * t589 * t436 / 0.6e1 - t2506 / 0.3e1 - t7 * t2268 * t201 / 0.3e1 - t2512 / 0.9e1 - t2515 / … in func_pol()
2218 …t2731 = t2490 / 0.9e1 + 0.2e1 / 0.3e1 * t2496 + t2499 / 0.3e1 - t2506 / 0.2e1 - t2512 / 0.6e1 - t2… in func_pol()
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| H A D | gga_x_q2d.c | 1143 double t2504, t2506, t2507, t2509, t2510, t2512, t2513, t2514; in func_pol() local
2882 t2512 = 0.1e1 / t626 / t116; in func_pol()
2883 t2513 = t2510 * t2512; in func_pol()
3616 t6704 = t624 * t2512; in func_pol()
3714 … t2854 * t1603 / t4220 / 0.38654705664e11 + t261 * t1602 * t1116 * t782 * t2512 / 0.16777216e8 - 0… in func_pol()
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| H A D | gga_x_sogga11.c | 1457 double t2503, t2506, t2509, t2512, t2515, t2518, t2521, t2537; in func_pol() local
2656 t2512 = t263 * t1182; in func_pol()
2660 …e3 * t2506 * t2496 - 0.5e1 / 0.192e3 * t2509 * t2488 + 0.5e1 / 0.2304e4 * t2512 * t2483 + t2515 * … in func_pol()
3318 …469 * t5412 / 0.12e2 + 0.5e1 / 0.24e2 * t2509 * t5424 - 0.5e1 / 0.288e3 * t2512 * t5416 - t2515 * … in func_pol()
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| H A D | gga_xc_th2.c | 489 double t2479, t2482, t2487, t2492, t2497, t2500, t2503, t2512; in func_pol() local
1435 …t2512 = -0.60442333333333333333e-1 * t2476 * t653 + 0.16330333333333333333e-1 * t2482 * t649 + 0.4… in func_pol()
1437 v3rho2sigma[3] = t2423 + t2450 + t2479 + t2512; in func_pol()
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| H A D | gga_c_lm.c | 849 double t2435, t2441, t2449, t2450, t2452, t2506, t2510, t2512; in func_pol() local
2173 …t2512 = t1697 + 0.3e1 / 0.4e1 * t2417 + 0.10e2 * t2419 - 0.8e1 * t2421 - 0.4e1 * t2423 - 0.15e2 / … in func_pol()
2186 … t1944 - t1947 + t1941 + t2412 / 0.216e3 - t2415 / 0.648e3 + t68 * t69 * (t2512 + t2534 + t2622 + … in func_pol()
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| H A D | gga_x_lg93.c | 1027 double t2481, t2484, t2490, t2496, t2498, t2512, t2519, t2537; in func_pol() local
2812 t2512 = t141 * t958 * t887; in func_pol()
2814 …324000000000e-1 * t344 * t389 * t346 * t390 + 0.48700598648000000000e-1 * t2512 + 0.2e1 / 0.3e1 * … in func_pol()
2936 … t2484 - 0.63370260831384785114e-28 * t2496 + 0.12175149662000000000e-1 * t2512 - t2519 / 0.6e1 - … in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_mn12.c | 124 double t2492, t2493, t2496, t2499, t2512, t2520, t2523, t2525; in func_unpol() local
1049 t2512 = t1317 * t10; in func_unpol()
3686 double t2511, t2512, t2515, t2518, t2521, t2525, t2526, t2529; in func_pol() local
5170 t2512 = t2101 * t2511; in func_pol()
6564 …t2512 - 0.64000000000000000001e-1 * t2316 * t2518 + 0.24e-1 * t2349 * t2518 - 0.96e-4 * t709 * t77… in func_pol()
6748 …t2512 - 0.32e-4 * t3117 * t2547 + 0.32e-4 * t3125 * t7796 + 0.13653333333333333334e-5 * t8510 * t7… in func_pol()
7076 …96 * t2557 + 0.21333333333333333334e-1 * t9709 * t837 + 0.32e-4 * t3690 * t2512 + 0.24e-1 * t3696 … in func_pol()
8623 ….64853333333333333333e-2 * t6801 * t2512 + 0.24e-1 * t704 * t718 * t18672 - 0.46080000000000000001… in func_pol()
9116 … + 0.25600000000000000001e-3 * t9681 * t2512 + 0.11520000000000000000e-2 * t23607 * t831 + 0.96e-4… in func_pol()
9224 …t2859 + 0.64e-4 * t4212 * t2512 - 0.23374506666666666668e-8 * t979 * t8713 - 0.192e-3 * t4220 * t7… in func_pol()
[all …]
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| H A D | mgga_x_lta.c | 795 double t2485, t2487, t2493, t2494, t2512, t2513, t2515, t2533; in func_pol() local
2579 t2512 = t2259 * t328 / 0.6e1; in func_pol()
2583 …t114 * t1025 * t167 * t323 + 0.5e1 / 0.12e2 * t113 * t114 * t793 * t323 + t2512 + 0.4e1 / 0.3e1 * … in func_pol()
2600 … 0.5e1 / 0.6e1 * t782 * t2197 * t2565 - t835 * t291 * t324 * t9 / 0.2e1 + t2512 + 0.2e1 / 0.3e1 * … in func_pol()
2616 …- t113 * t776 * t324 * t249 / 0.6e1 - t113 * t291 * t324 * t255 / 0.2e1 + t2512 + 0.4e1 / 0.3e1 * … in func_pol()
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| H A D | mgga_c_revscan.c | 3905 double t2503, t2504, t2505, t2508, t2511, t2512, t2516, t2517; in func_pol() local
7357 t2512 = t2511 * t2494; in func_pol()
7404 …503 * t2604 + 0.12938888888888888889e1 * t2508 * t2386 + 0.21996111111111111111e1 * t2512 * t2382); in func_pol()
10568 …t2512 * t7166 - 0.37393388888888888889e1 * t8533 * t7151 + 0.25877777777777777778e1 * t2495 * t716… in func_pol()
10702 …t2512 * t8903 + 0.12938888888888888889e1 * t2508 * t7529 - 0.36660185185185185185e1 * t8521 * t238… in func_pol()
10821 …t2512 * t8160 + 0.86259259259259259260e1 * t8560 * t9231 - 0.51755555555555555556e1 * t2495 * t923… in func_pol()
18107 …185e1 * t8577 * t31412 - 0.43992222222222222222e1 * t2512 * t31416 - 0.21996111111111111111e1 * t2… in func_pol()
18133 …t2512 * t31591 - 0.12464462962962962963e2 * t31622 * t31563 + 0.74786777777777777778e1 * t31625 * … in func_pol()
18254 …t2512 * t27352 + 0.43129629629629629630e1 * t8517 * t8175 + 0.35941358024691358025e1 * t8546 * t92… in func_pol()
18271 …t2512 * t32878 + 0.13197666666666666667e2 * t8539 * t32850 - 0.26395333333333333334e2 * t8539 * t3… in func_pol()
[all …]
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| H A D | mgga_x_rtpss.c | 133 double t2456, t2470, t2473, t2478, t2499, t2500, t2509, t2512; in func_unpol() local
1113 t2512 = t1075 * t30; in func_unpol()
1116 …t2550 = 0.77e2 / 0.18e2 * t2499 * t239 + 0.11e2 / 0.8e1 * t2512 * t386 - 0.3e1 / 0.8e1 * t1078 * t… in func_unpol()
1170 …* t3020 - 0.15e2 / 0.8e1 * t1408 * t189 * t70 * t1410 + 0.11e2 / 0.12e2 * t2512 * t507 + 0.3e1 / 0… in func_unpol()
1212 ….64e2 * t504 * t3459 - 0.9e1 / 0.128e3 * t504 * t3462 + 0.11e2 / 0.24e2 * t2512 * t607 + 0.195e3 /… in func_unpol()
3008 double t2502, t2503, t2504, t2505, t2507, t2508, t2511, t2512; in func_pol() local
4558 t2512 = t921 * t349; in func_pol()
4559 t2513 = t123 * t2512; in func_pol()
6117 …e1 - t894 * t895 * t2533 * t337 / 0.6e1 - 0.5e1 / 0.27e2 * t5571 * t872 * t2512 * t229 + t6085 / 0… in func_pol()
6309 …4 + 0.2e1 / 0.3e1 * t7119 + 0.2e1 * t7134 - t6976 - t458 * t6686 * t523 * t2512 / 0.9e1 + t2792 * … in func_pol()
[all …]
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| H A D | mgga_x_rscan.c | 2044 t2512 = t75 * t62; in func_unpol()
2045 t2513 = t2512 * t74; in func_unpol()
4153 t8059 = t2512 * t739; in func_unpol()
5108 t14406 = t2512 * t1875; in func_unpol()
5888 t18717 = t2512 * t2219; in func_unpol()
9055 t2512 = t46 * t1138; in func_ferr()
10192 t5739 = t2512 * t590; in func_ferr()
11580 t11494 = t2512 * t472; in func_ferr()
13612 t21557 = t2512 * t2152; in func_ferr()
17401 t2512 = t385 * t2510 * t392; in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 126 double t2488, t2504, t2506, t2507, t2512, t2515, t2520, t2523; in func_unpol() local
1044 t2512 = t495 * t274; in func_unpol()
1049 …4992e5 * t2506 * t2507 - 0.5e1 / 0.9e1 * t1103 * t238 + 0.25e2 / 0.81e2 * t2512 * t247 + 0.10e2 / … in func_unpol()
1100 t2897 = t2512 * t79; in func_unpol()
1177 t3351 = t2512 * t9; in func_unpol()
2549 double t2511, t2512, t2513, t2516, t2518, t2519, t2520, t2521; in func_pol() local
4283 t2512 = t2511 * t635; in func_pol()
4284 t2513 = t633 * t2512; in func_pol()
5882 t6919 = t1781 * t2512; in func_pol()
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| H A D | mgga_c_cs.c | 749 double t2481, t2488, t2492, t2495, t2498, t2501, t2509, t2512; in func_pol() local
2340 t2512 = t275 * t1015; in func_pol()
2344 …t2546 = -0.25e2 / 0.36e2 * t144 * t905 + 0.5e1 / 0.36e2 * t45 * t2512 * t105 + 0.25e2 / 0.108e3 * … in func_pol()
2366 …30 * t2501 * t133 - 0.25e2 / 0.9e1 * t144 * t1025 + 0.5e1 / 0.9e1 * t45 * t2512 * t136 - 0.5e1 / 0… in func_pol()
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| H A D | mgga_x_m08.c | 105 double t2512, t2515, t2516, t2521, t2522, t2523, t2528, t2529; in func_unpol() local
853 t2512 = t2511 * tau[0]; in func_unpol()
856 …4 + 0.8960e4 * t581 * t2496 + 0.11520e5 * t219 * t2500 + 0.4800e4 * t83 * t2512 + 0.40e2 * t41 * t… in func_unpol()
874 …t2512 + 0.22000e5 * t233 * t2603 + 0.2240e4 * t71 * t2496 + 0.12960e5 * t593 * t2500 + 0.5880e4 * … in func_unpol()
879 …t2655 = 0.8800e4 * t95 * t2614 + 0.6600e4 * t1505 * t2512 + 0.24200e5 * t553 * t2603 + 0.29040e5 *… in func_unpol()
886 …t2512 + 0.6600e4 * t137 * t2603 + 0.8800e4 * t140 * t2614 + 0.11440e5 * t143 * t2529 + 0.160e3 * t… in func_unpol()
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| H A D | mgga_x_revtm.c | 128 double t2512, t2528, t2543, t2546, t2551, t2554, t2567, t2570; in func_unpol() local
1129 t2512 = t947 * t181; in func_unpol()
1130 …3 * t2262 - 0.12e2 * t553 * t2264 + 0.54e2 * t545 * t2315 + t908 * t171 + t2512 * t217 / 0.10e2 + … in func_unpol()
1298 … * t854 - 0.9e1 / 0.50e2 * t1377 * t953 - 0.9e1 / 0.50e2 * t457 * t3038 + t2512 * t288 / 0.5e1 + t… in func_unpol()
1389 …313 - 0.12e2 * t539 * t1031 - 0.12e2 * t133 * t3390 - 0.12e2 * t133 * t3394 + t2512 * t343 / 0.5e1; in func_unpol()
1798 … t171 + t908 * t439 + t305 * t1470 + t1839 * t252 + 0.2e1 * t688 * t591 + t2512 * t514 / 0.10e2 - … in func_unpol()
1949 …t8161 = t305 * t2130 + t3052 * t171 + 0.2e1 * t2269 * t252 + t2512 * t667 / 0.5e1 + t7943 * t76 + … in func_unpol()
4691 double t2505, t2506, t2511, t2512, t2515, t2520, t2521, t2522; in func_pol() local
6255 t2512 = t2511 * t867; in func_pol()
6262 …t2540 = t2506 * t301 / 0.4e1 - 0.3e1 / 0.8e1 * t856 * t860 + 0.9e1 / 0.16e2 * t300 * t2512 - 0.3e1… in func_pol()
[all …]
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| H A D | mgga_c_m06l.c | 5554 double t2506, t2508, t2510, t2511, t2512, t2514, t2516, t2518; in func_pol() local
8655 t2512 = t128 * t2511; in func_pol()
8660 …0 * t2506 - 0.50000000000000000001e0 * t2508 - 0.50000000000000000001e0 * t2512 + 0.4e1 * t2514 - … in func_pol()
12188 t8931 = t2512 * t2715; in func_pol()
12279 t9122 = t2512 * t2635; in func_pol()
14758 t13485 = t2512 * t4192; in func_pol()
14759 t13487 = t2512 * t4200; in func_pol()
19088 …1 - 0.40000000000000000000e2 * t2508 * t8951 - 0.40000000000000000000e2 * t2512 * t8951 - 0.400000… in func_pol()
19166 …7 - 0.26666666666666666668e3 * t2508 * t8947 - 0.26666666666666666668e3 * t2512 * t8947 - 0.400000… in func_pol()
20936 … - 0.26666666666666666668e2 * t2512 * t13509 + 0.40000000000000000001e1 * t687 * t44860 + 0.106666… in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_3.c | 882 double t2500, t2505, t2508, t2511, t2512, t2513, t2514, t2516; in func_pol() local
2320 t2512 = t2511 * t126; in func_pol()
2321 t2513 = t2512 * t136; in func_pol()
3045 …t5534 = -t5039 / 0.3e1 - t5042 / 0.3e1 + 0.2e1 * t5045 + t3513 - t112 * t2512 * t391 / 0.12e2 - t5… in func_pol()
3049 t5555 = t244 * t2512 * t324; in func_pol()
3107 … t5922 / 0.24e2 - t5924 / 0.24e2 - t5926 / 0.8e1 - t5928 / 0.8e1 - t112 * t2512 * t420 / 0.8e1 - t… in func_pol()
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| H A D | lda_c_pw.c | 603 double t2452, t2454, t2474, t2496, t2497, t2501, t2505, t2512; in func_pol() local
1676 …t2512 = -t1407 + t1410 + t1414 - t1418 - 0.3e1 / 0.2e1 * t1419 + t1424 - t1429 - t2104 + t1436 - 0… in func_pol()
1684 …t2567 = t1267 + t10 * (t2449 + t2505 + t2512 + t2522 + t2531 + t2539 + t2548 + t2557) + 0.6e1 * t1… in func_pol()
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