| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_br89_explicit.c | 9609 t5492 = t907 * t876; in func_ferr()
18972 t5492 = t190 * t990; in func_pol()
18973 t5493 = t5492 * t1484; in func_pol()
19633 t6726 = t5492 * t1853; in func_pol()
20213 t7880 = t5492 * t2211; in func_pol()
21173 t9494 = t5492 * t2760; in func_pol()
21925 t10942 = t5492 * t2997; in func_pol()
22774 t12635 = t5492 * t3424; in func_pol()
25697 t19162 = t5492 * t4131; in func_pol()
26310 t22416 = t5492 * t5496; in func_pol()
[all …]
|
| H A D | mgga_xc_cc06.c | 1141 double t5480, t5485, t5486, t5488, t5492, t5493, t5499, t5503; in func_pol() local
3517 t5492 = t309 * t99; in func_pol()
3518 t5493 = t3020 * t5492; in func_pol()
3560 …8 * t5700 + 0.28166666666666666667e-3 * t2177 * t5492 * t634 + 0.42250000000000000000e-3 * t2177 *… in func_pol()
|
| H A D | mgga_x_revtm.c | 4802 double t5460, t5462, t5463, t5464, t5485, t5486, t5489, t5492; in func_pol() local
7327 t5492 = t4330 * t540; in func_pol()
7331 …t5516 = 0.12e2 * t1022 * t2052 + 0.6e1 * t1022 * t2054 - 0.54e2 * t1029 * t5492 - 0.54e2 * t1029 *… in func_pol()
9341 …637 + 0.24e2 * t1644 * t3611 + 0.12e2 * t1644 * t3613 - 0.108e3 * t2984 * t5492 - 0.108e3 * t2984 … in func_pol()
9380 …e3 * t13128 * t4323 + 0.54e2 * t10338 * t2064 + 0.108e3 * t10341 * t2064 + 0.108e3 * t3881 * t5492; in func_pol()
9383 …11 - 0.12e2 * t5568 * t3613 + 0.108e3 * t3881 * t5495 + 0.108e3 * t3884 * t5492 + 0.108e3 * t3884 … in func_pol()
9964 …9e1 / 0.50e2 * t3811 * t5576 + t1689 * t4952 / 0.10e2 + 0.108e3 * t4965 * t5492 + 0.108e3 * t4965 … in func_pol()
9982 …e2 * t4976 * t5456 + 0.108e3 * t13078 * t2064 + 0.108e3 * t13085 * t2064 + 0.108e3 * t4979 * t5492; in func_pol()
10008 …829 + 0.12e2 * t1644 * t4831 + 0.24e2 * t3629 * t2052 - 0.108e3 * t3626 * t5492 - 0.108e3 * t3626 … in func_pol()
10308 …743 + 0.12e2 * t372 * t20745 + 0.12e2 * t372 * t20747 - 0.108e3 * t4307 * t5492 - 0.108e3 * t4307 … in func_pol()
[all …]
|
| H A D | mgga_c_tpss.c | 3246 t5492 = t653 * t653; in func_ferr()
3247 t5493 = t45 * t5492; in func_ferr()
9901 t5492 = t97 * t5460; in func_pol()
17221 t24764 = t1219 * t5492; in func_pol()
17393 t25122 = t1318 * t5492; in func_pol()
33305 t109398 = t3994 * t5492; in func_pol()
33994 t111314 = t4263 * t5492; in func_pol()
34561 t113770 = t4445 * t5492; in func_pol()
35188 t115663 = t4683 * t5492; in func_pol()
37626 t126257 = t5070 * t5492; in func_pol()
[all …]
|
| H A D | mgga_x_m11_l.c | 4168 double t5483, t5484, t5488, t5489, t5492, t5496, t5500, t5508; in func_pol() local
6435 t5492 = t2023 * t3530; in func_pol()
6437 …t5500 = -0.10815042470445000000e-3 * t3506 * t5492 * t396 - 0.47936729530203483670e-4 * t2215 * t5… in func_pol()
6438 …t5508 = -0.10815042470445000000e-3 * t3506 * t5492 * t451 - 0.47936729530203483670e-4 * t2215 * t5… in func_pol()
8529 …40000000e-3 * t3506 * t14208 * t396 - 0.10815042470445000000e-3 * t3506 * t5492 * t1162 + 0.255662… in func_pol()
8533 …40000000e-3 * t3506 * t14208 * t451 - 0.10815042470445000000e-3 * t3506 * t5492 * t1298 + 0.255662… in func_pol()
8964 …t15918 = -0.10815042470445000000e-3 * t3506 * t5492 * t1693 - 0.47936729530203483670e-4 * t2215 * … in func_pol()
8965 …t15926 = -0.10815042470445000000e-3 * t3506 * t5492 * t1789 - 0.47936729530203483670e-4 * t2215 * … in func_pol()
11332 …8000000e-2 * t3506 * t14208 * t1162 - 0.10815042470445000000e-3 * t3506 * t5492 * t3692 - 0.161919… in func_pol()
11922 …t5492 * t5080 + 0.25566255749441857957e-3 * t2215 * t14215 * t1740 - 0.73375919172283579534e-7 * t… in func_pol()
[all …]
|
| H A D | mgga_x_edmgga.c | 155 double t5492, t5497, t5528, t5532, t5535, t5538, t5540, t5545; in func_unpol() local
1335 …t5492 = -0.15243447427901234238e2 * t270 * t987 * t1964 - 0.15243447427901234238e2 * t270 * t379 *… in func_unpol()
1347 …- 0.6e1 * t48 * t1432 * t338 - 0.6e1 * t96 * t1923 - t48 * t99 * (t5455 + t5492 + t5528 + t5564) -… in func_unpol()
3506 double t5454, t5485, t5488, t5492, t5499, t5500, t5502, t5503; in func_pol() local
6055 t5492 = t242 * t336; in func_pol()
6056 …4238e2 * t659 * t994 * t5488 + 0.10488523547622316684e3 * t1984 * t4130 * t5492 - 0.76217237139506… in func_pol()
6535 …035e2 * t1967 * t662 * t3730 + 0.20977047095244633367e3 * t6892 * t1988 * t5492 + 0.70819478890314… in func_pol()
8256 …35e2 * t1967 * t1084 * t4734 + 0.20977047095244633367e3 * t6892 * t4267 * t5492 - 0.22865171141851… in func_pol()
8961 …34e2 * t1967 * t1466 * t5488 + 0.20977047095244633367e3 * t6892 * t5615 * t5492 - 0.76217237139506… in func_pol()
|
| H A D | mgga_x_m08.c | 1480 double t5455, t5464, t5468, t5472, t5476, t5480, t5486, t5492; in func_ferr() local
2537 t5492 = t1570 * t5454 * tau[0]; in func_ferr()
2540 …t5492 - 0.13200e5 * t3544 * t5502 - 0.2800e4 * t3570 * t5480 - 0.1400e4 * t3625 * t5476 - 0.13200e… in func_ferr()
2551 … 0.13200e5 * t129 * t5468 - 0.19800e5 * t132 * t5472 - 0.28600e5 * t135 * t5492 - 0.38400e5 * t286… in func_ferr()
2552 … 0.7000e4 * t270 * t5480 - 0.13440e5 * t275 * t5486 - 0.125840e6 * t301 * t5492 - 0.2800e4 * t3062… in func_ferr()
|
| H A D | mgga_x_rscan.c | 308 double t5489, t5490, t5491, t5492, t5493, t5494, t5495, t5496; in func_unpol() local
3094 t5492 = 0.34601617920160293580e-5 * t5491; in func_unpol()
3109 …t5521 = 0.60552831360280513765e-4 * t5483 * t5484 - t5489 + t5492 + t5496 + 0.12110566272056102753… in func_unpol()
3361 …t6019 = t5492 + t5496 + t5526 + t5533 + t5537 - t5554 - t5559 - t5562 + t5565 + t5569 - t5572 - t5… in func_unpol()
3525 t6560 = -t1918 + t5431 - t5434 - t5438 - t5489 + t5492 + t5496 + t5526 + t5533 + t5537 - t5554; in func_unpol()
6066 …t19974 = -t5489 + t5492 + t5496 - 0.18847076105403830297e-6 * t4147 * t6937 - 0.152982626462720947… in func_unpol()
6200 …t20591 = 0.36539308523689270020e-3 * t19940 - t1918 + t5431 - t5434 - t5438 - t5489 + t5492 + t549… in func_unpol()
14511 double t5480, t5483, t5484, t5485, t5488, t5491, t5492, t5493; in func_pol() local
18750 t5492 = t5491 * t1018; in func_pol()
25699 …8152 - 0.4296801174797520e4 * t7960 * t28154 - 0.10122707335951980000e4 * t5492 * t28157 - 0.38361… in func_pol()
[all …]
|
| H A D | mgga_x_task.c | 3278 double t5475, t5477, t5478, t5479, t5480, t5483, t5486, t5492; in func_pol() local
6141 t5492 = t79 * t79; in func_pol()
6142 t5493 = 0.1e1 / t5492; in func_pol()
7895 t15184 = t5492 * t15183; in func_pol()
8575 t16783 = my_piecewise3(t57, -0.24e2 * t5493 + 0.3e1 * t60 / t5492 / tau[0], 0); in func_pol()
|
| H A D | mgga_c_tpssloc.c | 11508 t5493 = t169 * t5492; in func_pol()
16822 t18934 = t5492 * t813; in func_pol()
17004 t19260 = t5492 * t2417; in func_pol()
17054 t19376 = t168 * t5492; in func_pol()
19529 t26182 = t4865 * t5492; in func_pol()
19609 t26347 = t5040 * t5492; in func_pol()
28499 t70062 = t167 * t5492; in func_pol()
28755 t71852 = t5492 * t7935; in func_pol()
33142 t100138 = t5492 * t811; in func_pol()
33706 t102212 = t5492 * t720; in func_pol()
[all …]
|
| H A D | mgga_c_bc95.c | 2388 double t5489, t5490, t5491, t5492, t5493, t5494, t5495, t5496; in func_pol() local
6325 t5492 = 0.26803299164487558445e2 * t5491; in func_pol()
6339 t5506 = -t5472 - t5474 - t5476 + t5480 - t5484 + t5488 + t5492 - t5496 + t5499 + t5502 - t5505; in func_pol()
9454 …4919 + 0.20833333333333333333e0 * t4921 - 0.55555555555555555556e0 * t4925 - t5484 + t5488 + t5492; in func_pol()
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 370 t5478, t5480, t5482, t5484, t5487, t5489, t5492, t5494, t5496, t5499 local
2398 t5492 = 0.7200000000e2_dp*beta*t368*t5108
2406 t5516 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.1920000000e3_dp &
2730 t6363 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.9600000000e2_dp &
3149 t5480, t5482, t5484, t5487, t5489, t5492, t5494, t5496, t5499, t55 local
5174 t5492 = 0.7200000000e2_dp*beta*t368*t5108
5182 t5516 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.1920000000e3_dp &
5506 t6363 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.9600000000e2_dp &
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 370 t5478, t5480, t5482, t5484, t5487, t5489, t5492, t5494, t5496, t5499 local
2398 t5492 = 0.7200000000e2_dp*beta*t368*t5108
2406 t5516 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.1920000000e3_dp &
2730 t6363 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.9600000000e2_dp &
3149 t5480, t5482, t5484, t5487, t5489, t5492, t5494, t5496, t5499, t55 local
5174 t5492 = 0.7200000000e2_dp*beta*t368*t5108
5182 t5516 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.1920000000e3_dp &
5506 t6363 = t5480 - t5482 - t5484 + t5487 - t5489 + t5492 + t5494 - 0.9600000000e2_dp &
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_lg93.c | 1084 double t5492, t5506, t5510, t5513, t5516, t5520, t5526, t5531; in func_pol() local
3296 t5492 = t141 * t380 * t1939; in func_pol()
3297 …* t5219 - 0.13874444444444444444e-2 * t5489 - 0.41623333333333333333e-2 * t5492 - 0.41623333333333… in func_pol()
3351 … * t544 + 0.83246666666666666666e-2 * t5216 - 0.12487000000000000000e-1 * t5492 - 0.12487000000000… in func_pol()
|
| H A D | gga_x_gg99.c | 184 double t5483, t5492, t5509, t5513, t5514, t5526, t5545, t5579; in func_unpol() local
1486 t5492 = t135 * t1033 * t119; in func_unpol()
1487 …48 * t200 * t336 + 0.126e3 * t5483 * t2060 * t340 + 0.16e2 * t5492 * t2085 + 0.12e2 * t5492 * t208… in func_unpol()
1859 double t5411, t5414, t5417, t5448, t5455, t5489, t5492, t5497; in func_ferr() local
3160 t5492 = t130 * t403; in func_ferr()
3162 …4 * t765 - 0.132e3 * t5489 * t1635 + 0.1728e4 * t5497 * t1635 - 0.864e3 * t5492 * t1639 - 0.12e2 *… in func_ferr()
3249 …* t2088 + 0.1728e4 * t5497 * t2088 + 0.1296e4 * t3232 * t2094 - 0.864e3 * t5492 * t2101 - 0.2916e4… in func_ferr()
|
| H A D | gga_c_pbe.c | 1631 double t5491, t5492, t5493, t5498, t5499, t5501, t5502, t5503; in func_pol() local
4405 t5492 = 0.15584273195113317383e3 * t4293; in func_pol()
4437 …t5628 = t5489 + t5490 - t4289 + t5491 - t5492 - t4299 - t4337 - t5493 + t5499 + t5502 + t5504 - t5… in func_pol()
4601 …4 * t1611 * t760 * t318 + t4658 + t5529 - t5530 + t5484 - t5485 + t5491 - t5492 - t5493 + t4766 - … in func_pol()
|
| H A D | gga_c_revtca.c | 1363 double t5491, t5492, t5495, t5496, t5499, t5500, t5501, t5505; in func_pol() local
4210 t5492 = 0.8e1 * t5491; in func_pol()
4324 …25646053224e-1 * t5316 + t5568 - t5570 - t5572 + t5509 + 0.12e2 * t5294 + t5492 - t5487 - t5483 - … in func_pol()
4858 t7425 = -t5485 - t5487 - t5492 - t5496 - t5500 + t5505 + t5509 + t5513 - t5538 + t5540 - t5542; in func_pol()
|
| H A D | gga_xc_b97.c | 1896 double t5481, t5483, t5485, t5487, t5489, t5491, t5492, t5494; in func_pol() local
5066 t5492 = t449 * t5491; in func_pol()
5092 …2 * t5487 + 0.10000000000000000000e1 * t5489 + 0.50000000000000000001e0 * t5492 + 0.16082341588935… in func_pol()
7429 …2 * t5487 + 0.20000000000000000000e1 * t5489 + 0.10000000000000000000e1 * t5492 + 0.32164683177870… in func_pol()
7802 …2 * t5487 + 0.30000000000000000000e1 * t5489 + 0.15000000000000000000e1 * t5492 + 0.48247024766806… in func_pol()
|
| H A D | gga_c_zpbeint.c | 2080 double t5484, t5485, t5486, t5487, t5488, t5489, t5490, t5492; in func_pol() local
5802 t5492 = t106 * t467 * t367; in func_pol()
5803 t5493 = t4865 * t5492; in func_pol()
9084 t20172 = t17035 * t5492; in func_pol()
9505 t21656 = t5479 * t20055 * t5492; in func_pol()
|
| H A D | gga_x_sfat_pbe.c | 3434 double t5476, t5479, t5484, t5486, t5489, t5491, t5492, t5496; in func_pol() local
6110 t5492 = t5491 * t510; in func_pol()
6115 …e-3 * t3568 * t5484 * t5486 - 0.16829835908347106415e-2 * t4702 * t5489 * t5492 - 0.45232336025262… in func_pol()
7552 …e-2 * t3568 * t4717 * t5486 + 0.11780885135842974490e-1 * t4702 * t4703 * t5492 + 0.28423722867430… in func_pol()
|
| H A D | hyb_gga_xc_wb97.c | 2068 double t5477, t5481, t5485, t5486, t5490, t5492, t5495, t5504; in func_pol() local
5530 t5492 = t493 * t5490 * t496; in func_pol()
5534 …481 / 0.27e2 + 0.4e1 / 0.243e3 * t493 * t5348 * t5486 + 0.10e2 / 0.81e2 * t5492 + t5495 / 0.9e1 - … in func_pol()
6359 …2 / 0.18e2 + t7418 - 0.10e2 / 0.81e2 * t5474 + t7412 + 0.20e2 / 0.243e3 * t5492 + t5495 / 0.27e2 +… in func_pol()
7210 … t500 * t9621 / 0.18e2 + t7418 - 0.5e1 / 0.81e2 * t5474 + 0.10e2 / 0.243e3 * t5492 + t9560 + t5509; in func_pol()
|
| H A D | gga_c_zvpbeint.c | 2501 double t5486, t5487, t5488, t5489, t5490, t5491, t5492, t5493; in func_pol() local
6400 t5492 = t5491 / 0.64e2; in func_pol()
6420 …t5512 = t5432 - t5310 - t5313 - t5316 + t5476 + t5480 - t5484 - t5485 - t5489 - t5492 - t5495 + t5… in func_pol()
6627 …+ t5735 + t5774 - t5776 - t5310 - t5313 - t5778 - t5701 - t5779 - t5489 - t5492 + t5497 - t5782 - … in func_pol()
|
| H A D | gga_c_zvpbeloc.c | 2259 double t5490, t5491, t5492, t5494, t5496, t5499, t5502, t5504; in func_pol() local
5587 t5492 = t475 * t5491; in func_pol()
5589 … * t5487 + t5295 - t4294 + t5296 + t1295 * t506 + 0.82246703342411321825e-2 * t5492 + t139 * t5494; in func_pol()
5653 …738 + 0.76763589786250567036e-1 * t5028 + 0.2e1 * t434 * t1692 + 0.16449340668482264365e-1 * t5492; in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 1005 double t5483, t5485, t5486, t5488, t5489, t5490, t5492, t5497; in func_pol() local
3240 t5492 = t1892 * t940; in func_pol()
3253 …t5519 = 0.72e2 * t5486 - t5489 - 0.576e3 * t5490 + 0.70178683471615754484e1 * t5492 - t5497 - 0.14… in func_pol()
3780 ….360e3 * t5479 - t5482 - t7968 - 0.36e2 * t5486 + t7970 + 0.35089341735807877242e1 * t5492 - t5497; in func_pol()
4083 …2 * t5486 + 0.192e3 * t5488 + 0.96e2 * t5490 + 0.11696447245269292414e1 * t5492 - t5497 - 0.701786… in func_pol()
|
| H A D | lda_c_pk09.c | 2551 double t5476, t5478, t5479, t5488, t5489, t5491, t5492, t5493; in func_pol() local
5201 t5492 = 0.35649824350307562843e0 * t4966; in func_pol()
5205 …t5504 = -t5492 + t5493 + t5494 - 0.12833936766110722624e2 * t4975 + 0.42779789220369075413e1 * t49… in func_pol()
6383 …t10117 = -t5492 + 0.9625452574583041968e1 * t9824 - 0.21389894610184537707e1 * t9827 + 0.213898946… in func_pol()
6875 …t13503 = -0.42779789220369075413e1 * t13481 - 0.42666666666666666666e0 * t13364 - t5492 + 0.427797… in func_pol()
|