/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_optc.c | 5591 t2523 = t2520 * t2522; in func_pol() 7707 t7535 = t2523 * t7534; in func_pol() 8735 t10071 = t2523 * t10070; in func_pol() 9885 t13084 = t2523 * t13083; in func_pol() 13080 t23553 = t2523 * t23552; in func_pol() 13088 t23568 = t2523 * t23567; in func_pol() 13094 t23577 = t2523 * t23576; in func_pol() 13101 t23589 = t2523 * t23588; in func_pol() 13105 t23595 = t2523 * t23594; in func_pol() 13116 t23619 = t2523 * t23618; in func_pol() [all …]
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H A D | gga_c_pw91.c | 1918 double t2522, t2523, t2524, t2527, t2534, t2539, t2542, t2545; in func_pol() local 4081 t2523 = t2522 * t5; in func_pol() 4082 t2524 = t2523 * t2077; in func_pol() 4526 t3410 = t2523 * t3288; in func_pol() 4556 t3479 = t2523 * t3478; in func_pol() 4798 t4043 = t2523 * t4034; in func_pol() 4826 t4122 = t2523 * t3895; in func_pol() 4987 t4519 = t2523 * t4369; in func_pol() 6840 …t2523 * t9042 + 0.18137053605011111023e0 * t1030 * t826 * t9049 + 0.31295381363239528276e1 * t1267… in func_pol() 7338 …t2523 * t10440 - 0.16227234780939014662e1 * t11046 + 0.16227234780939014662e1 * t11048 - 0.8113617… in func_pol() [all …]
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H A D | gga_xc_th2.c | 490 double t2514, t2517, t2520, t2523, t2526, t2531, t2556, t2563; in func_pol() local 1445 t2523 = t307 * t195; in func_pol() 1447 …t2531 = -0.128e3 / 0.9e1 * t2523 * t196 + 0.80e2 / 0.9e1 * t2308 * t2526 - 0.16e2 / 0.3e1 * t1038 … in func_pol() 1484 …t2753 = 0.176e3 / 0.9e1 * t865 * t95 - 0.256e3 / 0.9e1 * t2523 * t281 + 0.80e2 / 0.9e1 * t2308 * t… in func_pol() 2077 …t5522 = -0.640e3 / 0.27e2 * t5505 * t500 - 0.128e3 / 0.9e1 * t2523 * t504 + 0.160e3 / 0.27e2 * t50… in func_pol() 2124 …e2 * t5987 * t196 - 0.1280e4 / 0.27e2 * t5505 * t2526 + 0.256e3 / 0.9e1 * t2523 * t495 + 0.160e3 /… in func_pol() 2157 …0.9e1 * t5987 * t281 - 0.640e3 / 0.9e1 * t5505 * t831 - 0.128e3 / 0.3e1 * t2523 * t835 + 0.160e3 /… in func_pol()
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H A D | gga_c_cs1.c | 736 double t2518, t2519, t2523, t2524, t2525, t2526, t2528, t2530; in func_pol() local 2043 t2523 = t370 * t1055; in func_pol() 2044 t2524 = 0.38777777777777777776e-1 * t2523; in func_pol() 2096 t2611 = 0.77555555555555555552e-1 * t2523; in func_pol() 2126 t2677 = 0.11633333333333333333e0 * t2523; in func_pol()
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H A D | gga_k_thakkar.c | 802 double t2517, t2523, t2526, t2554, t2566, t2567, t2570, t2613; in func_pol() local 1841 t2523 = t83 * t17 * t493 * t89; in func_pol() 1856 …2513 + t452 * t2514 * t236 + 0.3e1 / 0.2e1 * t452 * t2517 * t89 + 0.5e1 * t2523 + 0.5e1 / 0.2e1 * … in func_pol() 1877 …7 / 0.2e1 + t2689 + t452 * t2517 * t144 / 0.2e1 - t2513 + 0.5e1 / 0.3e1 * t2523 + 0.5e1 / 0.6e1 * … in func_pol()
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H A D | gga_x_q2d.c | 1144 double t2516, t2517, t2518, t2519, t2521, t2522, t2523, t2526; in func_pol() local 2891 t2523 = t1907 * t117; in func_pol() 2892 t2526 = t2522 * t198 * t2523 / 0.1024e4; in func_pol() 3621 t6725 = t2522 * t458 * t2523 / 0.3072e4; in func_pol() 3661 …02 * t2340 / 0.196608e6 + t518 * t1901 * t2359 / 0.256e3 + t2522 * t510 * t2523 / 0.1024e4 + t6725… in func_pol() 3714 … t2513 / 0.50331648e8 - t261 * t1983 * t2518 / 0.32768e5 + t2522 * t709 * t2523 / 0.256e3 - t261 *… in func_pol()
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H A D | gga_x_ev93.c | 936 double t2485, t2495, t2501, t2518, t2523, t2527, t2528, t2531; in func_pol() local 2401 t2523 = t149 * t157; in func_pol() 2413 …1 - t903 * t1335 * t905 * t355 + t2518 * t904 * t8 * t121 * t164 + t903 * t2523 * t906 + t2528 + 0… in func_pol() 2628 …t4132 = t3922 / 0.3e1 - 0.2e1 / 0.3e1 * t3929 + t903 * t4077 * t906 / 0.3e1 + t903 * t2523 * t1505… in func_pol() 2904 … * t5762 * t121 + 0.27e2 / 0.4e1 * t1923 * t3936 * t5762 * t164 + t1923 * t2523 * t1924 / 0.1024e4… in func_pol()
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H A D | gga_x_mpbe.c | 793 double t2502, t2510, t2513, t2523, t2525, t2538, t2546, t2551; in func_pol() local 1829 …t2523 = -0.3e1 / 0.2e1 * t1073 - 0.3e1 / 0.2e1 * t1079 + 0.3e1 * t1083 - 0.3e1 / 0.2e1 * t1087 - 0… in func_pol() 1832 v4rho4[3] = t2510 + t2513 + t2523 + t2525; in func_pol()
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H A D | gga_x_b88.c | 736 double t2513, t2523, t2546, t2552, t2559, t2568, t2593, t2611; in func_pol() local 1747 t2523 = t439 * t439; in func_pol() 1751 … * t99 * t154 * t1048 * t414 * t439 + 0.4e1 / 0.3e1 * t99 * t154 * t413 * t2523 + 0.16e2 / 0.9e1 *… in func_pol()
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H A D | gga_x_ft97.c | 1072 double t2448, t2463, t2470, t2481, t2488, t2495, t2498, t2523; in func_pol() local 2282 t2523 = t414 * t2228 * t1123; in func_pol() 2284 …445 * t299 / 0.6e1 + t1023 * t415 * t450 * t379 / 0.9e1 - 0.7e1 / 0.9e1 * t2523 - t414 * t1127 * t… in func_pol() 2310 …/ 0.9e1 - t2481 / 0.3e1 - t2488 / 0.6e1 + t2495 / 0.9e1 - t2498 / 0.3e1 + t2523 / 0.3e1 + t2205 + … in func_pol()
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H A D | gga_c_op_pbe.c | 781 double t2517, t2518, t2521, t2522, t2523, t2524, t2525, t2528; in func_pol() local 2274 t2523 = t2521 * t2522; in func_pol() 2282 …+ 0.76973305570375666120e-2 * t2516 * t2518 - 0.49756776293579956594e-2 * t2523 * t2525 - 0.559714… in func_pol() 2472 …t2965 = -0.49756776293579956594e-2 * t2523 * t2944 + 0.49756776293579956592e-2 * t2516 * t2947 + 0… in func_pol() 3873 …- 0.67693413782339978652e-6 * t9200 * t9203 - 0.49756776293579956594e-2 * t2523 * t9171 + 0.253951… in func_pol() 3899 …- 0.51952404117321553564e-3 * t2540 * t9146 + 0.70804421837415136854e-2 * t2523 * t9185 - 0.335828… in func_pol() 4207 …+ 0.41256950784041431421e-5 * t177 * t10882 + 0.70804421837415136854e-2 * t2523 * t10910 - 0.70804… in func_pol() 4465 …t2523 * t12316 - 0.29854065776147973955e-1 * t9144 * t12319 + 0.49756776293579956592e-2 * t2516 * … in func_pol()
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H A D | gga_x_cap.c | 904 double t2518, t2523, t2528, t2533, t2538, t2577, t2594, t2595; in func_pol() local 1986 t2523 = t385 * t385; in func_pol() 1990 …6 - t7 * t123 * t66 * t2518 / 0.2e1 - 0.5e1 / 0.27e2 * t7 * t1670 * t42 * t2523 - t7 * t233 * t42 … in func_pol()
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H A D | gga_x_htbs.c | 1166 double t2509, t2517, t2523, t2532, t2537, t2540, t2543, t2547; in func_pol() local 2324 t2523 = t495 * t2509; in func_pol() 2328 …491234913052e-1 * t49 * t2499 * t198 - 0.99208059313830153663e-5 * t494 * t2523 * t501 + 0.1144700… in func_pol() 2342 …0417762103917416332e-4 * t481 * t2503 * t66 - 0.41944031231462577189e-7 * t2523 * t2556, t2600 + t… in func_pol()
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H A D | gga_c_bmk.c | 1375 double t2519, t2520, t2521, t2522, t2523, t2524, t2525, t2526; in func_pol() local 3134 t2523 = t1068 * t390; in func_pol() 3135 t2524 = t2523 * t413; in func_pol() 3916 t4323 = t2523 * t608; in func_pol() 5205 …2 + 0.20000000000000000000e1 * t1375 * t2712 + 0.60000000000000000000e1 * t2523 * t1379 + 0.500000… in func_pol() 5548 …14 + 0.15000000000000000000e1 * t9239 * t413 + 0.30000000000000000000e1 * t2523 * t1646 + 0.500000… in func_pol() 5555 …t9319 = 0.30000000000000000000e1 * t2523 * t1689 + 0.15000000000000000000e1 * t9161 * t608 + 0.150… in func_pol() 5931 …7 + 0.50000000000000000001e0 * t2517 * t1985 + 0.10000000000000000000e1 * t2523 * t1985 - 0.100000… in func_pol() 6013 …3 + 0.10000000000000000000e1 * t1372 * t4657 + 0.20000000000000000000e1 * t2523 * t1988 + 0.200000… in func_pol() 6643 …4 + 0.48247024766806046961e2 * t2583 * t6147 + 0.30000000000000000000e1 * t2523 * t2185 + 0.150000… in func_pol() [all …]
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H A D | gga_x_ityh.c | 2543 double t2513, t2517, t2523, t2525, t2529, t2531, t2532, t2539; in func_pol() local 3967 t2523 = t5 * t843; in func_pol() 3968 t2525 = t22 * t2523 * t2483; in func_pol() 3975 …t2571 = 0.6e1 * t219 * t2523 * t91 * t2483 - 0.4e1 * t219 * t860 * t114 * t845 - 0.6e1 * t219 * t8… in func_pol() 4727 t4651 = t2523 * t4630; in func_pol() 4748 …t4742 = 0.15e2 / 0.2e1 * t219 * t2523 * t4709 * t122 - 0.15e2 / 0.2e1 * t1129 * t1328 * t4714 - 0.… in func_pol() 5105 …0.24e2 * t219 * t6658 * t91 * t6651 + 0.16e2 * t219 * t2523 * t114 * t2483 + 0.36e2 * t219 * t2523… in func_pol() 5861 …t292 * t91 * t12860 * t122 - t65 * t4735 * t362 / 0.24e2 + 0.5e1 * t219 * t2523 * t114 * t4630 * t… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_vt84.c | 4644 t2523 = t2384 * t31; in func_ferr() 4645 t2524 = t2523 * t145; in func_ferr() 5636 t7425 = t2523 * t412; in func_ferr() 8541 t2523 = t100 * t995; in func_pol() 8719 t2912 = t2523 * t322; in func_pol() 9169 t3988 = t2523 * t568; in func_pol() 9171 t4000 = t2523 * t309; in func_pol() 9458 t4740 = t2523 * t341; in func_pol() 9465 t4755 = t2523 * t728; in func_pol() 9513 t4919 = t2523 * t722; in func_pol() [all …]
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H A D | mgga_x_br89_explicit.c | 1787 t2523 = t83 * t2052; in func_unpol() 1788 t2524 = t2523 * t2425; in func_unpol() 1893 t2900 = t2523 * t2899; in func_unpol() 2005 t3328 = t2523 * t3327; in func_unpol() 2142 t3746 = t2523 * t3715; in func_unpol() 2285 t4203 = t2523 * t4202; in func_unpol() 2296 t4224 = t2523 * t4223; in func_unpol() 2520 t4995 = t2523 * t4994; in func_unpol() 2536 t5052 = t2523 * t5051; in func_unpol() 2729 t5822 = t2523 * t5761; in func_unpol() [all …]
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H A D | mgga_x_regtpss.c | 165 double t2521, t2522, t2523, t2525, t2528, t2529, t2532, t2533; in func_unpol() local 1643 t2523 = t236 * t2522; in func_unpol() 2080 …2057681e0 * t3591 * t3597 * t3598 * sigma[0] - 0.86812272222222222225e0 * t2523 * t3604 - 0.215472… in func_unpol() 3029 …t2523 * t2605 * t51 * t740 - 0.52087363333333333335e1 * t7519 * t2525 - 0.40580796816057956106e2 *… in func_unpol() 3329 …167733333333333333e1 * t1280 * t1281 * t2055 - 0.86812272222222222225e0 * t2523 * t9735 + 0.790064… in func_unpol() 3800 …- 0.16277301041666666666e0 * t4402 * t10176 - 0.27128835069444444444e-1 * t2523 * t13475 - 0.21547… in func_unpol() 8496 double t2522, t2523, t2527, t2528, t2529, t2532, t2534, t2537; in func_pol() local 10561 t2523 = t2522 * t103; in func_pol() 10584 …t2523 - 0.79310431738740432605e-1 * t1989 * t590 - 0.25e2 / 0.108e3 * t2529 - 0.861687023258009519… in func_pol() 13377 t9039 = t2564 * t2523; in func_pol() [all …]
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H A D | hyb_mgga_x_dldf.c | 1192 double t2512, t2514, t2517, t2519, t2520, t2523, t2526, t2529; in func_pol() local 3043 t2523 = t943 * t1955; in func_pol() 3050 …t2523 * t55 - 0.18301203888888888889e4 * t2526 * t2520 - 0.27603694444444444444e4 * t2529 * t2520 … in func_pol()
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H A D | mgga_x_gx.c | 123 double t2478, t2509, t2514, t2521, t2522, t2523, t2528, t2535; in func_unpol() local 1032 t2523 = t2522 * t235; in func_unpol() 1044 …t2523 * params->c1 * t589 - 0.625e3 / 0.5832e4 * t1194 * t1524 * t2528 + 0.125e3 / 0.324e3 * t2523… in func_unpol() 1053 …15552e5 * t1506 * t1194 - 0.625e3 / 0.139968e6 * t2627 * t2581 + 0.125e3 / 0.1944e4 * t683 * t2523; in func_unpol() 2420 double t2519, t2520, t2522, t2523, t2525, t2527, t2529, t2531; in func_pol() local 3907 t2523 = t1008 * t2522; in func_pol() 3910 …t2529 = -0.25e2 / 0.486e3 * t2520 - 0.125e3 / 0.1296e4 * t2523 - 0.125e3 / 0.1296e4 * t2525 - 0.25… in func_pol() 5307 …27e2 * t2274 * t709 + (-0.1300e4 / 0.729e3 * t2520 - 0.1625e4 / 0.243e3 * t2523 - 0.1250e4 / 0.729… in func_pol()
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H A D | mgga_x_mvs.c | 1992 double t2497, t2501, t2512, t2513, t2516, t2519, t2523, t2530; in func_pol() local 3752 t2523 = t623 * t926; in func_pol() 3756 …16 * t2516 - 0.45e2 / 0.64e2 * t99 * t2519 * t624 + 0.5e1 / 0.8e1 * t99 * t2523 * t247 + 0.5e1 / 0… in func_pol() 4074 …* t2910 - 0.45e2 / 0.64e2 * t2913 * t2909 * t247 + 0.5e1 / 0.16e2 * t99 * t2523 * t304 + 0.5e1 / 0… in func_pol() 5229 …6 * t624 + 0.15e2 / 0.16e2 * t99 * t7050 * t247 + 0.15e2 / 0.16e2 * t99 * t2523 * t646 + 0.5e1 / 0… in func_pol() 5564 …t8308 = 0.5e1 / 0.16e2 * t99 * t7050 * t304 + 0.5e1 / 0.8e1 * t99 * t2523 * t816 + 0.5e1 / 0.16e2 … in func_pol() 5967 …t9160 = 0.5e1 / 0.8e1 * t99 * t2926 * t816 + 0.5e1 / 0.16e2 * t99 * t2523 * t996 + 0.5e1 / 0.16e2 … in func_pol() 6178 …372 * t247 - 0.45e2 / 0.64e2 * t99 * t3030 * t816 + 0.5e1 / 0.8e1 * t99 * t2523 * t1070 + 0.5e1 / … in func_pol() 6322 …t9567 - 0.135e3 / 0.64e2 * t2913 * t9566 * t247 + 0.15e2 / 0.16e2 * t99 * t2523 * t1124 + 0.15e2 /… in func_pol()
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H A D | mgga_x_scanl.c | 1708 t2523 = t902 * t103; in func_unpol() 1709 t2524 = t628 * t2523; in func_unpol() 1975 t3418 = t890 * t2523; in func_unpol() 2000 t3501 = t898 * t2523; in func_unpol() 2130 t3913 = t1094 * t2523; in func_unpol() 2176 t4078 = t1101 * t2523; in func_unpol() 3071 t7959 = t2523 * t2511; in func_unpol() 3117 t8162 = t2523 * t254; in func_unpol() 3718 t12053 = t2950 * t2523; in func_unpol() 13519 t2523 = t56 * t2522; in func_pol() [all …]
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H A D | mgga_x_edmgga.c | 1002 t2525 = t2523 * t2524; in func_unpol() 1143 t3628 = t2523 * t2524 * t162; in func_unpol() 1172 t3875 = t2523 * t2524 * t181; in func_unpol() 1389 t6029 = t2523 * t2524 * t639; in func_unpol() 2629 t2523 = t748 * t93; in func_ferr() 2630 t2524 = t2523 * t751; in func_ferr() 2756 t3570 = t2523 * t2590; in func_ferr() 2835 t4367 = t2523 * t1254; in func_ferr() 2899 t4922 = t2523 * t751 * t427; in func_ferr() 2944 t5396 = t2523 * t5395; in func_ferr() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_ml1.c | 376 double t2496, t2501, t2514, t2515, t2522, t2523, t2526, t2531; in func_pol() local 1781 t2523 = t2522 * t32; in func_pol() 1784 …6265909022844765012e0 * t1400 * t2491 * t281 - 0.56289080840135534928e0 * t2523 * t783 - 0.5628908… in func_pol() 2613 …t5572 = -0.16886724252040660479e1 * t2523 * t2526 - 0.84433621260203302392e0 * t2523 * t1408 - 0.8… in func_pol() 3150 t7690 = t2523 * t2442; in func_pol() 3158 …9 + 0.16886724252040660479e1 * t7717 * t2031 + 0.56289080840135534928e0 * t2523 * t2035 + 0.168867… in func_pol() 3781 …051 + 0.15759545413706859008e1 * t4625 * t2545 * t10817 + 0.37526053893423689952e0 * t2523 * t3401; in func_pol() 3800 …t11001 = -0.18763026946711844976e0 * t3088 * t392 - 0.11257816168027106986e1 * t2523 * t3091 - 0.1… in func_pol() 4121 …t12743 = -0.84433621260203302392e0 * t2523 * t3640 - 0.84433621260203302392e0 * t781 * t126 * t363… in func_pol()
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H A D | lda_c_vwn_3.c | 883 double t2518, t2519, t2522, t2523, t2524, t2529, t2530, t2535; in func_pol() local 2327 t2523 = t127 * t2522; in func_pol() 2328 t2524 = t112 * t2523; in func_pol() 3012 t5317 = t238 * t2523; in func_pol() 3013 t5319 = t369 * t2523; in func_pol()
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