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Searched refs:t2529 (Results 1 – 25 of 70) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_mbeefvdw.c1897 t2529 = t2528 * t2461; in func_unpol()
10350 t2529 = t49 * t221; in func_ferr()
10351 t2530 = t2529 * t2294; in func_ferr()
10546 t3171 = t2529 * t3100; in func_ferr()
10853 t4115 = t2529 * t4114; in func_ferr()
11051 t4913 = t2529 * t4912; in func_ferr()
19747 t2529 = t2528 * t862; in func_pol()
19748 t2530 = t634 * t2529; in func_pol()
19750 t2534 = t640 * t2529; in func_pol()
19758 t2550 = t621 * t2529; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c1192 double t2512, t2514, t2517, t2519, t2520, t2523, t2526, t2529; in func_pol() local
3045 t2529 = t48 * t386; in func_pol()
3050 …5 - 0.18301203888888888889e4 * t2526 * t2520 - 0.27603694444444444444e4 * t2529 * t2520 - 0.136940… in func_pol()
3416 …50 + 0.27490664000000000000e3 * t370 * t4806 + 0.16562216666666666667e4 * t2529 * t4803 - 0.280815… in func_pol()
3751 … t2526 * t5697 - 0.65374140000000000000e2 * t370 * t366 - 0.99373300000000000000e3 * t2529 * t5697; in func_pol()
4286 …2526 * t6015 - 0.1609879680e3 * t959 * t2060 + 0.59623980000000000000e3 * t2529 * t6015 - 0.270983… in func_pol()
4928 …64184e2 * t2344 * t60 - 0.2371836024e3 * t2526 * t2344 - 0.3577438800e3 * t2529 * t2344 - 0.177474… in func_pol()
H A Dmgga_x_mggac.c2596 t2529 = t75 * t2528; in func_unpol()
2597 t2530 = t1687 * t2529; in func_unpol()
5788 t12175 = t9709 * t2529; in func_unpol()
29835 t2530 = t78 * t2529; in func_pol()
29864 t2584 = t229 * t2529; in func_pol()
29879 t2621 = t81 * t2529; in func_pol()
36098 t11353 = t77 * t2529; in func_pol()
40694 t17374 = t2529 * t2529; in func_pol()
40730 t17432 = t2529 * t16; in func_pol()
51285 t54907 = t2529 * t2; in func_pol()
[all …]
H A Dmgga_x_edmgga.c118 double t2523, t2524, t2525, t2526, t2529, t2531, t2539, t2540; in func_unpol() local
1004 t2529 = 0.1e1 / t117 / t773 / t116; in func_unpol()
1039 …71188e1 * t270 * t333 * t2731 - 0.24056046973484009303e4 * t2525 * t138 * t2529 * t2736 - 0.228651… in func_unpol()
1056 t2885 = t162 * t2529; in func_unpol()
1081 t3078 = t181 * t2529; in func_unpol()
1144 t3629 = t2529 * t2531; in func_unpol()
1184 t4000 = t567 * t2529; in func_unpol()
1240 t4524 = t639 * t2529; in func_unpol()
1265 …0052e3 * t772 * t1732 * t334 - 0.24056046973484009303e4 * t2525 * t1704 * t2529 * t4798 + 0.209770… in func_unpol()
1408 t6225 = t2166 * t2529; in func_unpol()
[all …]
H A Dmgga_c_m06l.c8665 t2529 = t1625 * t380; in func_pol()
8667 t2531 = t2529 * t2530; in func_pol()
10228 t5260 = t2529 * t5259; in func_pol()
11410 t7398 = t2529 * t2700; in func_pol()
12384 t9309 = t2529 * t9308; in func_pol()
12766 t10057 = t2529 * t10056; in func_pol()
13566 t11372 = t2529 * t3630; in func_pol()
14582 t13184 = t2529 * t4215; in func_pol()
19029 t28292 = t2529 * t9164; in func_pol()
20151 t37773 = t2529 * t1064; in func_pol()
[all …]
H A Dmgga_x_tm.c2139 double t2520, t2521, t2526, t2529, t2530, t2531, t2532, t2537; in func_ferr() local
3104 t2529 = t593 * t673; in func_ferr()
3105 t2530 = t466 * t2529; in func_ferr()
3136 t2629 = t325 * t2529; in func_ferr()
3681 …28 = 0.108e3 * t1163 * t2526 + 0.54e2 * t1163 * t2529 + 0.108e3 * t1166 * t2526 + 0.54e2 * t1166 *… in func_ferr()
3691 …* t6870 + 0.24e2 * t118 * t6938 + 0.24e2 * t2026 * t453 - 0.54e2 * t956 * t2529 + 0.24e2 * t318 * … in func_ferr()
3857 …e-3 * t6781 * t6782 * t199 + 0.162e3 * t1668 * t2529 - 0.1944e4 * t4701 * t2532 + 0.162e3 * t1685 … in func_ferr()
3862 …813 + 0.36e2 * t118 * t8817 - 0.324e3 * t1213 * t2526 - 0.162e3 * t1213 * t2529 - 0.162e3 * t1523 … in func_ferr()
3875 …08e3 * t2530 - 0.24e2 * t2541 - 0.67919282666666666667e1 * t1456 * t609 * t2529 + 0.81503139200000… in func_ferr()
3893 …t9257 = -0.648e3 * t1213 * t2711 - 0.216e3 * t1213 * t2714 - 0.108e3 * t1523 * t2529 - 0.648e3 * t… in func_ferr()
[all …]
H A Dmgga_x_regtpss.c165 double t2521, t2522, t2523, t2525, t2528, t2529, t2532, t2533; in func_unpol() local
1646 t2529 = t2528 * t610; in func_unpol()
1659 …t2529 - 0.74609910836762688617e1 * t2396 * t2533 + 0.54107729088077274809e1 * t1729 * t2528 * t238… in func_unpol()
4447 double t2529, t2530, t2533, t2536, t2537, t2540, t2541, t2542; in func_ferr() local
5824 t2529 = t60 * t215; in func_ferr()
5825 t2530 = t2528 * t2529; in func_ferr()
6138 t3378 = t3377 * t2529; in func_ferr()
6149 t3396 = t3395 * t2529; in func_ferr()
6311 t3839 = t3784 * t2529; in func_ferr()
8496 double t2522, t2523, t2527, t2528, t2529, t2532, t2534, t2537; in func_pol() local
[all …]
H A Dmgga_x_ms.c130 double t2525, t2529, t2533, t2570, t2590, t2594, t2597, t2606; in func_unpol() local
1084 t2529 = t61 * t152; in func_unpol()
1086 …t2570 = 0.1000000e7 / 0.59049e5 * t1043 * t687 * t959 + 0.250000e6 / 0.19683e5 * t686 * t2529 * t1… in func_unpol()
1125 …* t237 + 0.25e2 / 0.54e2 * t532 * t439 - 0.1000000e7 / 0.19683e5 * t686 * t2529 * t158 + 0.4e1 * t… in func_unpol()
1203 …2 - 0.50e2 / 0.27e2 * t92 * t1273 * t101 - 0.31250e5 / 0.6561e4 * t1043 * t2529 * t388 - 0.625e3 /… in func_unpol()
1227 … t1396 + 0.25e2 / 0.27e2 * t691 * t439 + 0.500000e6 / 0.19683e5 * t1043 * t2529 * t429 - 0.4375e4 … in func_unpol()
1255 …161 * t99 + 0.1000e4 / 0.81e2 * t1406 - 0.2000000e7 / 0.19683e5 * t1043 * t2529 * t466 - 0.5000e4 … in func_unpol()
H A Dmgga_x_tpss.c3530 double t2528, t2529, t2530, t2531, t2532, t2534, t2538, t2541; in func_pol() local
5115 t2529 = t470 * t375; in func_pol()
5116 t2530 = t2529 * t358; in func_pol()
6820 …4 / 0.27e2 - t2428 * t1386 * t352 * t965 * t249 / 0.3e1 - t2528 * t1486 * t2529 * t897 / 0.3e1 + 0… in func_pol()
6825 …t6762 = 0.2e1 / 0.9e1 * t6723 * t1486 * t2529 * t888 - 0.2e1 / 0.9e1 * t6730 + 0.2e1 / 0.9e1 * t64… in func_pol()
6855 …03 * t470 * t1122 * t358 + t6723 * t1486 * t470 * t970 * t358 / 0.3e1 + t6711 * t1486 * t2529 * t9; in func_pol()
6928 …t7488 = 0.4e1 * t6992 - 0.2e1 * t2528 * t1486 * t2529 * t979 + 0.12e2 * t3531 * t1503 * t2529 * t1… in func_pol()
7716 …3767 * t9325 * t4153 * t470 * sigma[2] / 0.24e2 - t11572 * t3607 * t566 * t2529 / 0.6e1 + t3606 * … in func_pol()
H A Dmgga_x_mn12.c125 double t2529, t2531, t2534, t2537, t2538, t2563, t2582, t2585; in func_unpol() local
1053 t2529 = t167 * t821; in func_unpol()
1075 …t2646 = 0.13107200000000000001e-6 * t2525 * t816 * t1324 + 0.37282702222222222226e-8 * t2529 * t25… in func_unpol()
1632 …5920000000000004e-5 * t2525 * t2618 * t1324 - 0.16155837629629629631e-6 * t2529 * t5295 * t2534 + … in func_unpol()
1648 …8888888891e-7 * t473 * t821 * t2531 * t2534 + 0.19884107851851851853e-8 * t2529 / t23 / t4055 * t6… in func_unpol()
1681 … - 0.26214400000000000000e-7 * t930 * t3237 - 0.14913080888888888891e-9 * t2529 * t2378 * t141 - 0… in func_unpol()
3686 double t2511, t2512, t2515, t2518, t2521, t2525, t2526, t2529; in func_pol() local
5176 t2529 = t2085 * t2525; in func_pol()
5179 …8888888888888888887e-1 * t142 * t2526 + 0.26666666666666666666e0 * t142 * t2529 - 0.13333333333333… in func_pol()
6283 t6753 = t588 * t2529; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_rpbe.c530 double t2484, t2488, t2510, t2512, t2516, t2519, t2524, t2529; in func_pol() local
1668 t2529 = t773 * t393; in func_pol()
1675 …519 + t365 * t24 * t639 / 0.18e2 + t2524 * t970 * t792 * t214 / 0.216e3 - t2529 / 0.1296e4 - t2532… in func_pol()
1696 …- t969 * t970 * t2185 * t92 / 0.144e3 - t2640 * t2642 * t1952 / 0.648e3 - t2529 / 0.648e3 - t2548 … in func_pol()
1708 …t792 * t309 / 0.48e2 - t2640 * t2642 * t2163 / 0.216e3 + t2620 / 0.16e2 - t2529 / 0.432e3 - t2647 … in func_pol()
H A Dgga_x_2d_b88.c664 double t2469, t2477, t2486, t2495, t2497, t2529, t2545, t2573; in func_pol() local
1703 t2529 = t328 * t122; in func_pol()
1709 ….93053827172539591434e-2 * t40 * t421 * t888 - 0.16749688891057126458e0 * t2529 * t133 + 0.4187422… in func_pol()
1778 …8610765434507918287e-1 * t1037 * t169 * t355 - 0.11166459260704750972e0 * t2529 * t169 - 0.1116645… in func_pol()
H A Dgga_c_am05.c914 double t2517, t2520, t2524, t2525, t2529, t2530, t2531, t2532; in func_pol() local
2092 t2529 = 0.96e2 * t2187; in func_pol()
2096 …169 + t2174 - t2524 - 0.12e2 * t2525 + 0.180e3 * t2177 + 0.60e2 * t2181 - t2529 + t2192 + t2531 - … in func_pol()
2160 ….12e2 * t2118 - t2520 + t2174 + t2524 - 0.36e2 * t2525 + 0.60e2 * t2177 + t2529 + t2192 - t2531 + … in func_pol()
H A Dgga_x_pw91.c1025 double t2515, t2518, t2526, t2529, t2549, t2551, t2555, t2560; in func_pol() local
2194 t2529 = t7 * t441 * t1094; in func_pol()
2196 ….3e1 - t7 * t434 * t2475 * t110 * t2477 / 0.3e1 - 0.7e1 / 0.3e1 * t2526 - t2529 / 0.3e1 - t7 * t33… in func_pol()
2218 …- t2506 / 0.2e1 - t2512 / 0.6e1 - t2515 / 0.2e1 - t2518 / 0.2e1 + t2526 - t2529 / 0.2e1 + t2710 / … in func_pol()
H A Dgga_k_mpbe.c771 double t2476, t2502, t2505, t2529, t2533, t2536, t2540, t2550; in func_pol() local
1764 t2529 = t463 * t463; in func_pol()
1769 …e1 / 0.3e1 * t404 * t180 * t196 * t1171 + 0.4e1 / 0.27e2 * t1746 * t116 * t2529 + t315 * t116 * t2… in func_pol()
H A Dgga_c_lyp.c536 double t2522, t2525, t2528, t2529, t2535, t2538, t2539, t2541; in func_pol() local
1739 t2529 = t2528 * t226; in func_pol()
1745 … * t929 * t557 + 0.11e2 / 0.648e3 * t942 * t2522 + t2525 * t226 / 0.6e1 + t2529 / 0.6e1 - 0.4e1 / … in func_pol()
1826 …6e1 + 0.11e2 / 0.648e3 * t942 * t2726 + 0.11e2 / 0.864e3 * t942 * t2729 + t2529 / 0.12e2 + 0.11e2 … in func_pol()
H A Dgga_x_n12.c1121 double t2513, t2516, t2518, t2519, t2522, t2523, t2528, t2529; in func_pol() local
2307 t2529 = t279 * t2528; in func_pol()
2308 … * t961 * t2519 + 0.26666666666666666666e0 * t966 * t2523 - 0.13333333333333333333e0 * t71 * t2529; in func_pol()
3094 t5885 = t272 * t2529; in func_pol()
H A Dgga_c_gaploc.c3170 double t2522, t2523, t2524, t2527, t2528, t2529, t2530, t2533; in func_ferr() local
4511 t2529 = t391 * t2528; in func_ferr()
5028 … + 0.85206502119823888169e-1 * t434 * t3883 - 0.79445533226334281487e-1 * t2529 * t3886 + 0.397227… in func_ferr()
5045 … - 0.51123901271894332901e0 * t1318 * t3925 + 0.59584149919750711116e-1 * t2529 * t3928 + 0.511239… in func_ferr()
5830 …t2529 * t1284 * t7469 - 0.17041300423964777634e0 * t3346 * t3919 + 0.38342925953920749676e0 * t131… in func_ferr()
5954 …t2529 * t396 * t4320 - 0.89376224879626066674e-1 * t3872 * t1246 + 0.89376224879626066674e-1 * t10… in func_ferr()
6187 double t2526, t2529, t2530, t2531, t2532, t2534, t2535, t2536; in func_pol() local
9485 t2529 = t425 * t884 * t625; in func_pol()
9488 t2532 = t2529 * t2531; in func_pol()
11591 t7332 = t2529 * t7331; in func_pol()
[all …]
H A Dgga_x_ncap.c2251 double t2506, t2516, t2518, t2522, t2525, t2526, t2529, t2530; in func_pol() local
3605 t2529 = t2322 * t214; in func_pol()
3608 t2541 = t2529 * t1871; in func_pol()
3611 … t2516 * t2522 - 0.4e1 / 0.3e1 * t2516 * t2526 - 0.16e2 / 0.3e1 * t1289 * t2529 * t2530 + 0.14e2 /… in func_pol()
4640 … 0.19e2 / 0.216e3 * t2889 * t642 * t1674 * t73 - 0.46e2 / 0.3e1 * t1289 * t2529 * t644 + 0.576e3 *… in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_xc_ksdt.c5333 t2529 = t431 * t465; in func_pol()
10351 t15282 = t665 * t2529 * t667; in func_pol()
10381 t15385 = t665 * t2529 * t674; in func_pol()
11540 t19009 = t756 * t2529 * t5568; in func_pol()
11804 t19862 = t665 * t2529 * t758; in func_pol()
12165 t21136 = t665 * t2529 * t1093; in func_pol()
12180 t21192 = t665 * t2529 * t1089; in func_pol()
12542 t22439 = t2529 * t8609; in func_pol()
12784 t23339 = t665 * t2529 * t1141; in func_pol()
13771 t27243 = t756 * t2529 * t7137; in func_pol()
[all …]
H A Dlda_c_vwn_3.c883 double t2518, t2519, t2522, t2523, t2524, t2529, t2530, t2535; in func_pol() local
2329 t2529 = 0.24e2 * t2314; in func_pol()
2330 …t1241 + 0.2e1 * t2301 - 0.16e2 * t2304 - t2309 - t2311 + 0.40e2 * t2312 - t2529 + t1273 - t2320 + … in func_pol()
3076 …01 + 0.16e2 * t2302 - 0.48e2 * t2304 - 0.32e2 * t2310 + 0.120e3 * t2312 - t2529 - 0.64e2 * t2316 +… in func_pol()
H A Dlda_c_pk09.c2425 double t2529, t2532, t2533, t2536, t2543, t2544, t2545, t2548; in func_pol() local
4199 t2529 = t289 * t2423; in func_pol()
4200 ….18e2 - t2508 * t1301 / 0.6e1 + t2517 * t296 / 0.6e1 - t2526 * t296 / 0.6e1 - t2529 * t296 / 0.6e1; in func_pol()
6448 t10633 = t2529 * t1268; in func_pol()
6478 …8594830683977667e-1 * t9911 + t10574 / 0.18e2 + t1555 * t10805 / 0.12e2 + t2529 * t1463 / 0.18e2 -… in func_pol()
6907 …t13813 = -t2517 * t2482 / 0.9e1 + t2529 * t2482 / 0.9e1 - t2508 * t10076 / 0.3e1 + t304 * t13780 /… in func_pol()
H A Dlda_xc_bn05.c884 double t2523, t2525, t2526, t2527, t2529, t2530, t2531, t2533; in func_pol() local
2275 t2529 = t174 * t175 * t2527; in func_pol()
2276 t2530 = t2529 / 0.8e1; in func_pol()
3413 …/ 0.2e1 + t2517 / 0.3e1 - 0.3e1 / 0.2e1 * t2521 - 0.3e1 / 0.2e1 * t2525 - t2529 / 0.2e1 + t2533 / … in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xwpbe.F1500 t251, t2512, t252, t2529, t253, t2543, t255, t256, t257, t2573, t258 local
2481 t2529 = t721*t444
2487 t2473 + 2._dp*t823*t1240 + 2._dp*t243*r1*t2529 - t243*t826* &
2505 (t1240) - (2._dp*t280*t2529) + (t280*t275*t1240) &
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xwpbe.F1500 t251, t2512, t252, t2529, t253, t2543, t255, t256, t257, t2573, t258 local
2481 t2529 = t721*t444
2487 t2473 + 2._dp*t823*t1240 + 2._dp*t243*r1*t2529 - t243*t826* &
2505 (t1240) - (2._dp*t280*t2529) + (t280*t275*t1240) &

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