| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_chachiyo.c | 806 double t2555, t2560, t2564; in func_pol() local
2038 t2560 = t2545 * t365 * t64 * t1117 * t1126; in func_pol()
2041 …v4sigma4[0] = t2550 / 0.589824e6 - t2555 / 0.98304e5 + 0.11e2 / 0.589824e6 * t2560 - t2564 / 0.983… in func_pol()
2044 …v4sigma4[1] = t2550 / 0.294912e6 - t2555 / 0.49152e5 + 0.11e2 / 0.294912e6 * t2560 - t2564 / 0.491… in func_pol()
2050 …v4sigma4[3] = t2550 / 0.147456e6 - t2555 / 0.24576e5 + 0.11e2 / 0.147456e6 * t2560 - t2564 / 0.245… in func_pol()
2059 …v4sigma4[6] = t2550 / 0.73728e5 - t2555 / 0.12288e5 + 0.11e2 / 0.73728e5 * t2560 - t2564 / 0.12288… in func_pol()
2071 …v4sigma4[10] = t2550 / 0.36864e5 - t2555 / 0.6144e4 + 0.11e2 / 0.36864e5 * t2560 - t2564 / 0.6144e… in func_pol()
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| H A D | gga_x_pbea.c | 470 double t2514, t2551, t2552, t2554, t2556, t2558, t2560, t2567; in func_pol() local
1527 t2560 = t879 * t950; in func_pol()
1529 …* t2556 + 0.12843329612981144782e-1 * t2558 - 0.24081243024339646465e-2 * t2560 + 0.48162486048679… in func_pol()
1541 …* t2556 + 0.38529988838943434345e-1 * t2558 - 0.72243729073018939395e-2 * t2560 - 0.24081243024339… in func_pol()
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| H A D | gga_x_lspbe.c | 614 double t2454, t2505, t2544, t2545, t2547, t2560, t2589, t2590; in func_pol() local
1606 t2560 = 0.1e1 / t27 / t1238; in func_pol()
1608 …t2560 * t228 * t99 / 0.324e3 + 0.43e2 / 0.432e3 * t591 * t954 * sigma[0] - 0.19e2 / 0.162e3 * t223… in func_pol()
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| H A D | gga_k_pw86.c | 573 double t2536, t2541, t2546, t2549, t2553, t2556, t2560, t2564; in func_pol() local
1581 t2560 = t979 * t988; in func_pol()
1586 …+ t2553 / 0.27e2 + t2556 + t989 * t990 * t643 / 0.45e2 - 0.2e1 / 0.45e2 * t2560 * t990 * t647 - 0.… in func_pol()
1607 …14e2 / 0.135e3 * t2670 - t2576 * t990 * t776 / 0.135e3 - 0.2e1 / 0.45e2 * t2560 * t990 * t780 + 0.… in func_pol()
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| H A D | gga_x_sfat_pbe.c | 1150 t2560 = t2559 * t2406; in func_unpol()
4865 t2560 = t4 * t453 * t638; in func_pol()
4866 t2561 = t2560 * t461; in func_pol()
5407 t3838 = t2560 * t597; in func_pol()
6554 t7448 = t2560 * t1237; in func_pol()
6555 t7452 = t2560 * t1223; in func_pol()
6556 t7454 = t2560 * t1231; in func_pol()
6978 t10144 = t2560 * t1681; in func_pol()
6981 t10159 = t2560 * t1695; in func_pol()
6982 t10168 = t2560 * t1699; in func_pol()
[all …]
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| H A D | gga_k_lc94.c | 1004 double t2543, t2546, t2549, t2550, t2552, t2554, t2557, t2560; in func_pol() local
2134 t2560 = t816 * t427 * t1153; in func_pol()
2137 …t2595 = t2552 + t2554 / 0.3e1 - 0.2e1 / 0.27e2 * t2557 - 0.2e1 / 0.27e2 * t2560 + t113 * t332 * t1… in func_pol()
2170 … * t2549 + 0.4e1 * t2552 + 0.4e1 / 0.3e1 * t2554 - 0.8e1 / 0.27e2 * t2557 - 0.8e1 / 0.27e2 * t2560; in func_pol()
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| H A D | gga_c_lyp.c | 538 double t2560, t2561, t2563, t2564, t2565, t2567, t2568, t2570; in func_pol() local
1755 t2560 = 0.28e2 / 0.9e1 * t2556 * t974; in func_pol()
1772 …v3rho2sigma[1] = -t2554 + t2558 + t2560 + 0.20e2 / 0.3e1 * t2561 - t2567 - t2570 - 0.4e1 / 0.3e1 *… in func_pol()
1840 …v3rho2sigma[4] = -t2554 + t2558 + t2560 + 0.10e2 / 0.3e1 * t2561 - t2567 - t2570 - 0.2e1 / 0.3e1 *… in func_pol()
1883 …v3rho2sigma[7] = -t2554 + t2558 + t2560 + 0.20e2 / 0.3e1 * t2760 - t2567 - t2570 - 0.4e1 / 0.3e1 *… in func_pol()
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| H A D | gga_x_lv_rpw86.c | 1075 double t2492, t2502, t2515, t2539, t2546, t2553, t2560, t2567; in func_pol() local
2248 t2560 = t1026 * t1031 * t1141; in func_pol()
2251 … * t2553 - 0.5e1 / 0.27e2 * t2333 * t444 * t491 * t320 + 0.2e1 / 0.27e2 * t2560 + t1026 * t444 * t… in func_pol()
2279 … * t1311 * t115 / 0.6e1 - t2539 / 0.6e1 + t2546 / 0.9e1 - t2553 / 0.3e1 + t2560 / 0.9e1 - t2567 / … in func_pol()
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| H A D | gga_x_chachiyo.c | 1333 double t2554, t2556, t2557, t2558, t2560, t2561, t2562, t2563; in func_pol() local
3470 t2560 = t129 * t193 * t742; in func_pol()
3471 t2561 = t2560 * t201; in func_pol()
3858 t2969 = t2560 * t253; in func_pol()
5105 …128e3 / 0.729e3 * t195 * t5773 * t8183 * sigma[2] * t34 + 0.7e1 / 0.6e1 * t2560 * t566 - 0.64e2 / … in func_pol()
5408 …t2560 * t773 / 0.3e1 - 0.10e2 / 0.27e2 * t748 * t2552 - 0.2e1 / 0.27e2 * t611 * t2975 - 0.16e2 / 0… in func_pol()
5585 …09 * t2956 / 0.54e2 + t1494 * t10846 * t2955 / 0.108e3 - 0.3e1 / 0.32e2 * t2560 * t870 - t748 * t2… in func_pol()
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| H A D | gga_x_n12.c | 1122 double t2532, t2558, t2560, t2566, t2573, t2575, t2576, t2579; in func_pol() local
2310 t2560 = t7 * t17 * t2558; in func_pol()
2348 …t2681 = -0.3e1 / 0.8e1 * t2560 - 0.3e1 / 0.8e1 * t2653 - t2656 / 0.8e1 - t2659 / 0.8e1 - t2143 + t… in func_pol()
3038 …t5462 = -0.3e1 / 0.4e1 * t2560 - 0.3e1 / 0.4e1 * t2653 - t2656 / 0.4e1 - t2659 / 0.4e1 - t2139 - t… in func_pol()
3212 … t6605 + t6632 + t6668 + t6681 + t6892) - t2825 - t3028 - 0.9e1 / 0.8e1 * t2560 - 0.9e1 / 0.8e1 * … in func_pol()
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| H A D | gga_x_pw91.c | 1025 double t2515, t2518, t2526, t2529, t2549, t2551, t2555, t2560; in func_pol() local
2201 …t2560 = -t1314 - 0.3e1 / 0.4e1 * t1089 + 0.3e1 / 0.4e1 * t989 - t1212 - t1216 - t1220 - t1224 - t1… in func_pol()
2221 v4rho4[3] = t2560 + t2569 + t2574 + t2735; in func_pol()
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| H A D | gga_c_op_pbe.c | 783 double t2555, t2556, t2559, t2560, t2563, t2566, t2570, t2571; in func_pol() local
2289 t2560 = t2559 * t121; in func_pol()
2311 …15000000000000000000e1 * t350 * t2556 - 0.50000000000000000000e0 * t350 * t2560 - 0.90481461500000… in func_pol()
3932 …000000000000e1 * t350 * t9490 * t294 - 0.10000000000000000000e1 * t1092 * t2560 - 0.18096292300000… in func_pol()
3955 t9676 = t1086 * t2560; in func_pol()
4214 …5000000000000000000e0 * t127 * t2549 - 0.50000000000000000000e0 * t1202 * t2560 - 0.50000000000000… in func_pol()
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| H A D | gga_c_op_g96.c | 725 double t2548, t2551, t2552, t2556, t2557, t2560, t2563, t2570; in func_pol() local
2229 t2560 = t678 * t439; in func_pol()
2271 …t2685 = 0.56772658145918308952e-4 * t449 * t2557 - 0.21289746804719365856e-4 * t1653 * t2560 - 0.1… in func_pol()
3842 t9589 = t5957 * t2560; in func_pol()
3895 …t9881 = -0.42579493609438731712e-4 * t5971 * t2560 + 0.11354531629183661790e-3 * t1564 * t2557 - t… in func_pol()
4135 …2359682928e-4 * t449 * t678 * t1936 - 0.21289746804719365856e-4 * t6600 * t2560 - 0.10644873402359… in func_pol()
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| H A D | gga_c_sogga11.c | 139 double t2560, t2569, t2574, t2579, t2580, t2587, t2596, t2609; in func_unpol() local
1102 t2560 = t2261 * t372; in func_unpol()
1105 … t2275 + 0.360e3 * t422 * t2533 + 0.42e2 * t397 * t2549 + 0.60e2 * t422 * t2560 + 0.432e3 * t352 *… in func_unpol()
1114 …4e2 * t404 * t2549 + 0.140e3 * t422 * t2549 + 0.18e2 * t397 * t2560 + 0.36e2 * t404 * t2560 + 0.21… in func_unpol()
1579 double t2545, t2549, t2552, t2557, t2559, t2560, t2573, t2574; in func_ferr() local
2447 t2560 = t120 * t2559; in func_ferr()
2452 …t2591 = 0.120e3 * t2268 * t2573 * t2574 + 0.2e1 * t150 * t2560 - 0.72e2 * t154 * t2507 - 0.18e2 * … in func_ferr()
2457 …t2622 = 0.72e2 * t150 * t2608 + 0.3e1 * t154 * t2560 - 0.120e3 * t160 * t2507 + 0.5e1 * t160 * t25… in func_ferr()
2461 …t2652 = -0.24e2 * t154 * t2545 + 0.4e1 * t157 * t2560 - 0.3e1 * t170 * t2503 - 0.3e1 * t170 * t258… in func_ferr()
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| H A D | gga_x_beefvdw.c | 1716 double t2560, t2562, t2564, t2566, t2568, t2570, t2572, t2574; in func_pol() local
2921 t2560 = t92 * t2555; in func_pol()
2922 …495813564933533817e6 * t2556 + 0.50340687941345496970e7 * t2558 - 0.24664815444310469452e7 * t2560; in func_pol()
3552 …22 - 0.13319000339927653504e9 * t2558 * t222 - 0.36881739575096235270e9 * t2560 * t222 + 0.2277853… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_4.c | 856 double t2553, t2560, t2564, t2610, t2625, t2629, t2645, t2707; in func_pol() local
1988 t2560 = t4 * t1813 * t37; in func_pol()
1989 …t2553 / 0.12e2 - 0.4e1 * t1056 * t118 * t623 * t578 + 0.185e3 / 0.864e3 * t2560 + 0.16e2 / 0.3e1 *… in func_pol()
1994 …t2707 = 0.70e2 / 0.81e2 * t2560 + 0.28e2 / 0.27e2 * t2546 + 0.4e1 / 0.3e1 * t2550 - 0.2e1 / 0.3e1 … in func_pol()
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| H A D | lda_c_vwn_3.c | 885 double t2554, t2556, t2557, t2559, t2560, t2561, t2563, t2569; in func_pol() local
2344 t2560 = t127 * t2559; in func_pol()
2345 t2561 = t244 * t2560; in func_pol()
3057 t5574 = t786 * t2560; in func_pol()
3058 t5576 = t789 * t2560; in func_pol()
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| H A D | lda_xc_bn05.c | 887 double t2556, t2557, t2558, t2559, t2560, t2561, t2562, t2563; in func_pol() local
2299 t2560 = t166 * t2559; in func_pol()
2301 t2562 = t2560 * t2561; in func_pol()
3139 t5207 = 0.1245672e3 * t2560 * t541 * t834; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_m08.c | 106 double t2534, t2535, t2546, t2551, t2554, t2557, t2560, t2563; in func_unpol() local
867 t2560 = t1250 * t952; in func_unpol()
869 …0.3e1 * t553 * t2554 - 0.4840e4 / 0.3e1 * t240 * t2557 - 0.880e3 * t101 * t2560 - 0.80e2 * t53 * t… in func_unpol()
884 …0.3e1 * t737 * t2554 - 0.4840e4 / 0.3e1 * t328 * t2557 - 0.880e3 * t143 * t2560 - 0.80e2 * t808 * … in func_unpol()
2754 double t2548, t2549, t2551, t2552, t2556, t2560, t2565, t2570; in func_pol() local
3973 t2560 = t203 * t2556; in func_pol()
3981 …t2560 + 0.30e2 * t196 * t2565 + 0.42e2 * t201 * t2570 + 0.56e2 * t206 * t2575 + 0.72e2 * t211 * t2… in func_pol()
3985 …t2635 = 0.2e1 * t183 * t2556 * t38 + 0.30e2 * t1379 * t2560 + 0.42e2 * t1390 * t2565 + 0.56e2 * t1… in func_pol()
3987 … 0.20e2 * t242 * t2560 + 0.30e2 * t244 * t2565 + 0.42e2 * t246 * t2570 + 0.56e2 * t248 * t2575 + 0… in func_pol()
3988 …t2705 = 0.2e1 * t120 * t183 * t2556 + 0.20e2 * t1555 * t2609 + 0.30e2 * t1562 * t2560 + 0.42e2 * t… in func_pol()
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| H A D | hyb_mgga_x_m05.c | 1124 double t2547, t2554, t2557, t2560, t2565, t2572, t2575, t2580; in func_ferr() local
1889 t2560 = t51 * t813; in func_ferr()
1891 …880e3 / 0.27e2 * t133 * t2557 + 0.880e3 / 0.27e2 * t43 * t2560 + 0.440e3 / 0.9e1 * t140 * t2560 + … in func_ferr()
2224 double t2549, t2551, t2552, t2553, t2557, t2559, t2560, t2561; in func_pol() local
3700 t2560 = t907 * t2559; in func_pol()
3701 t2561 = 0.47299330211516028573e-1 * t2560; in func_pol()
5152 … * t2404 - 0.15766443403838676191e-1 * t2232 + 0.18919732084606411429e0 * t2560 + 0.94598660423032… in func_pol()
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| H A D | hyb_mgga_x_pjs18.c | 3564 double t2548, t2553, t2560, t2564, t2566, t2568, t2572, t2574; in func_pol() local
5378 t2560 = t68 * t873; in func_pol()
5707 …497 / 0.2e1 + t1283 * t3494 / 0.4e1 + 0.144e3 * t1286 * t3436 + 0.144e3 * t2560 * t802 + 0.72e2 * … in func_pol()
6953 …7735 * t1144 + 0.144e3 * t4838 * t802 + 0.144e3 * t7740 * t317 + 0.72e2 * t2560 * t1138 + 0.144e3 … in func_pol()
7346 … 0.144e3 * t1746 * t2937 + 0.72e2 * t399 * t9416 + 0.144e3 * t8702 * t561 + 0.72e2 * t2560 * t2054; in func_pol()
7675 ….24e2 * t113 * t10724 + t10761 * t71 + t4103 * t10672 / 0.8e1 + 0.144e3 * t2560 * t2516 + 0.72e2 *… in func_pol()
7871 … t2937 + 0.4e1 * t412 * t3450 * t561 + 0.144e3 * t8702 * t802 + 0.144e3 * t2560 * t2937 + 0.72e2 *… in func_pol()
9831 ….144e3 * t3965 * t873 + 0.216e3 * t4139 * t2516 + 0.216e3 * t7740 * t1138 + 0.72e2 * t2560 * t3957; in func_pol()
10662 …746 * t9416 + 0.72e2 * t19367 * t802 + 0.216e3 * t8702 * t2054 + 0.72e2 * t2560 * t7135 + 0.216e3 … in func_pol()
11978 …* t37764 + 0.216e3 * t10771 * t2516 + 0.216e3 * t7740 * t3431 + 0.216e3 * t2560 * t10613 + 0.216e3… in func_pol()
[all …]
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| H A D | mgga_c_revscan.c | 3908 double t2555, t2556, t2557, t2560, t2563, t2564, t2568, t2569; in func_pol() local
7382 t2560 = t797 * t2550; in func_pol()
7385 …3 - 0.21564814814814814815e1 * t2555 * t2557 + 0.12938888888888888889e1 * t2560 * t2201 + 0.219961… in func_pol()
7424 …3 - 0.21564814814814814815e1 * t2555 * t2656 + 0.12938888888888888889e1 * t2560 * t2386 + 0.219961… in func_pol()
10624 …6 - 0.25877777777777777778e1 * t2560 * t7180 - 0.43992222222222222222e1 * t2564 * t8552 + 0.129388… in func_pol()
10772 …4 - 0.25877777777777777778e1 * t2560 * t8913 - 0.21996111111111111111e1 * t2564 * t8903 + 0.129388… in func_pol()
10870 …t2560 * t8175 - 0.77633333333333333334e1 * t2564 * t8160 - 0.86259259259259259260e1 * t9081 * t238… in func_pol()
18054 …t2560 * t24012 + 0.31053333333333333334e2 * t8687 * t24017 + 0.47921810699588477367e0 * t30883 * t… in func_pol()
18186 … * t520 * t2385 * t829 - 0.51755555555555555556e1 * t2560 * t31613 - 0.25877777777777777778e1 * t2… in func_pol()
18317 … * t874 * t8174 * t498 + 0.77633333333333333334e1 * t2560 * t32975 - 0.51755555555555555556e1 * t2… in func_pol()
[all …]
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| H A D | mgga_x_tm.c | 126 double t2547, t2549, t2551, t2560, t2562, t2563, t2568, t2569; in func_unpol() local
1109 t2560 = t32 * t691; in func_unpol()
1110 t2562 = t291 * t2560 * t95; in func_unpol()
1729 …464 - 0.73e2 / 0.9720e4 * t244 * t245 * t1942 + 0.73e2 / 0.135e3 * t291 * t2560 * t114 + t2580 - 0… in func_unpol()
1890 …t9155 = -t2563 + 0.73e2 / 0.45e2 * t291 * t2560 * t204 + t2569 + t2475 - 0.73e2 / 0.1620e4 * t244 … in func_unpol()
2141 double t2560, t2563, t2566, t2569, t2570, t2575, t2581, t2582; in func_ferr() local
3117 t2560 = t2559 * t152; in func_ferr()
3122 …t2554 - 0.9e1 / 0.50e2 * t1312 * t810 + 0.83359506542156099039e-5 * t24 * t2560 - 0.9e1 / 0.50e2 *… in func_ferr()
3692 …554 - 0.9e1 / 0.50e2 * t1654 * t1751 + 0.83359506542156099039e-5 * t114 * t2560 + 0.171e3 / 0.1000… in func_ferr()
3865 …1319880444444444444e1 * t7428 * t787 + 0.25007851962646829712e-4 * t205 * t2560 - 0.9e1 / 0.100e3 … in func_ferr()
[all …]
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| H A D | mgga_k_pc07.c | 4072 double t2560, t2567, t2568, t2569, t2572, t2576, t2577, t2578; in func_ferr() local
5384 t2560 = t520 * t283; in func_ferr()
10164 t2560 = t873 * t344; in func_pol()
10165 t2561 = t2559 * t2560; in func_pol()
10173 t2576 = t872 * t2560; in func_pol()
10176 t2582 = t2581 * t2560; in func_pol()
12552 t9629 = t2560 * t159; in func_pol()
12557 t9642 = t2560 * t875; in func_pol()
12621 t9886 = t2668 * t2560; in func_pol()
13008 t11626 = t9932 * t2560; in func_pol()
[all …]
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| H A D | mgga_x_mbeefvdw.c | 1909 t2560 = t751 * t2387; in func_unpol()
10361 t2560 = t144 * t2559; in func_ferr()
10362 t2561 = t2558 * t2560; in func_ferr()
10365 t2565 = t2564 * t2560; in func_ferr()
10400 t2645 = t2644 * t2560; in func_ferr()
10403 t2649 = t2648 * t2560; in func_ferr()
19764 t2560 = t290 * t512; in func_pol()
19765 t2561 = t507 * t2560; in func_pol()
19768 t2566 = t521 * t2560; in func_pol()
19799 t2624 = t525 * t2560; in func_pol()
[all …]
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