| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_3.c | 942 double t4752, t4754, t4755, t4756, t4758, t4759, t4760, t4761; in func_pol() local
2786 t4752 = t397 * t1164; in func_pol()
2797 …t4768 = 0.144e3 * t4743 - 0.576e3 * t4745 + 0.4e1 * t4748 + 0.240e3 * t4750 + 0.96e2 * t4752 - t47… in func_pol()
2981 …t5225 = 0.180e3 * t4750 - 0.72e2 * t4752 - t5197 + t5198 - t5200 - t112 * t579 * t1046 / 0.8e1 - t… in func_pol()
3074 ….2e1 * t4748 + 0.2e1 * t5189 - 0.8e1 * t5191 + 0.120e3 * t4750 + 0.48e2 * t4752 - 0.32e2 * t5196 +… in func_pol()
3119 …t6035 = t5185 - t5186 + t4748 + 0.60e2 * t4750 - 0.24e2 * t4752 - t5197 - t5198 - t5200 - t5207 - … in func_pol()
|
| H A D | lda_c_ml1.c | 458 double t4750, t4752, t4757, t4760, t4766, t4772, t4774, t4777; in func_pol() local
2428 t4752 = t16 * t1253; in func_pol()
2435 …2 * t4748 + 0.28998224193400000000e2 * t4750 - 0.10740083034592592593e2 * t4752 * t90 * t4093 + 0.… in func_pol()
3049 …9 * t1148 - 0.65246004435150000000e2 * t7158 - 0.10740083034592592593e2 * t4752 * t90 * t5390 + 0.… in func_pol()
3551 …* t591 * t1946 + 0.28998224193400000000e2 * t9689 - 0.10740083034592592593e2 * t4752 * t90 * t8053; in func_pol()
3872 …65 + 0.13049200887030000000e3 * t591 * t3269 - 0.10740083034592592593e2 * t4752 * t90 * t11512 - 0… in func_pol()
4249 …38 - 0.43497336290100000000e2 * t591 * t3786 - 0.10740083034592592593e2 * t4752 * t90 * t13392 + 0… in func_pol()
|
| H A D | lda_xc_ksdt.c | 2450 double t4743, t4744, t4746, t4747, t4748, t4750, t4751, t4752; in func_pol() local
6314 t4752 = t48 * t4751; in func_pol()
6315 t4754 = t1678 * t4752 * t1586; in func_pol()
6595 t5296 = t1678 * t4752 * t2003; in func_pol()
9009 t11128 = t1678 * t4752 * t3843; in func_pol()
9278 t11918 = t1678 * t4752 * t4144; in func_pol()
11601 t19188 = t1678 * t4752 * t5311; in func_pol()
16757 t43252 = t1678 * t4752 * t13690; in func_pol()
|
| H A D | lda_c_pmgb06.c | 1583 double t4742, t4743, t4744, t4746, t4747, t4749, t4750, t4752; in func_pol() local
4918 t4752 = 0.2e1 / 0.15e2 * t1523 * t4750; in func_pol()
4955 …t4800 = t4746 + t4749 - t4752 + t4755 - t4759 - t4764 + t4769 - t4772 + t4775 + t4780 - t4785 - t4… in func_pol()
5365 …21 + t4725 - t5572 * t212 / 0.15e2 + t4730 - t4735 + t4738 + t4746 + t4749 - t4752 + t4755 - t4759; in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_pbe_vwn.c | 4743 t4752 = t979 * t901; in func_pol()
4744 t4753 = t4752 * t487; in func_pol()
4762 t4785 = t4752 * t503; in func_pol()
6409 t13208 = t1509 * t4752 * t4413; in func_pol()
6769 t15235 = t4752 * t373; in func_pol()
6784 t15274 = t4747 * t4752 * t1379 * t4757; in func_pol()
6788 t15281 = t4747 * t4752 * t15260; in func_pol()
6815 t15355 = t4747 * t4752 * t1416 * t4757; in func_pol()
6826 t15376 = t4747 * t4752 * t15326; in func_pol()
6896 t15645 = t4752 * t452; in func_pol()
[all …]
|
| H A D | gga_x_lag.c | 869 double t4747, t4749, t4752, t4755, t4757, t4759, t4761, t4763; in func_pol() local
3065 t4752 = t1171 * t3433 * t1608; in func_pol()
3077 …t4792 = -t4290 + t4307 - 0.22908113923556397016e-10 * t4749 + 0.31316321046443008825e-14 * t4752 +… in func_pol()
3117 …t4307 - 0.68724341770669191048e-10 * t4749 + 0.93948963139329026475e-14 * t4752 + 0.72750174778571… in func_pol()
|
| H A D | gga_xc_b97.c | 1858 double t4745, t4747, t4749, t4750, t4752, t4753, t4755, t4756; in func_pol() local
4757 t4752 = t1884 * t526; in func_pol()
4758 t4753 = t4752 * t548; in func_pol()
5395 t6357 = t4752 * t805; in func_pol()
7409 … - 0.30000000000000000000e1 * t13588 * t1307 + 0.15000000000000000000e1 * t4752 * t1152 + 0.500000… in func_pol()
7535 … + 0.32164683177870697974e2 * t14296 * t1072 + 0.20000000000000000000e1 * t4752 * t1967 + t11896 /… in func_pol()
7673 …2 + 0.10000000000000000000e1 * t1813 * t4557 + 0.20000000000000000000e1 * t4752 * t1964 - 0.200000… in func_pol()
7992 …t18109 = 0.15000000000000000000e1 * t527 * t6397 * t835 + 0.30000000000000000000e1 * t4752 * t2443… in func_pol()
8032 …8 + 0.30000000000000000000e1 * t16446 * t805 + 0.15000000000000000000e1 * t4752 * t2430 + 0.300000… in func_pol()
8405 …0 - 0.10000000000000000000e1 * t4744 * t7576 + 0.10000000000000000000e1 * t4752 * t2726 + 0.100000… in func_pol()
[all …]
|
| H A D | gga_x_n12.c | 1185 double t4737, t4741, t4743, t4745, t4747, t4751, t4752, t4767; in func_pol() local
2908 t4752 = t4751 / 0.4e1; in func_pol()
2910 …t4769 = -0.5e1 / 0.36e2 * t4747 - 0.5e1 / 0.12e2 * t4084 + t4752 + t2187 * t997 * t2161 * t332 / 0… in func_pol()
3168 …t6468 = -0.5e1 / 0.12e2 * t4747 - 0.5e1 / 0.36e2 * t4084 + t4752 - 0.3e1 / 0.8e1 * t7 * t17 * (t64… in func_pol()
|
| H A D | gga_c_op_b88.c | 864 double t4750, t4752, t4753, t4754, t4755, t4756, t4759, t4764; in func_pol() local
2948 t4752 = t281 * t436; in func_pol()
2949 t4753 = 0.30000000000000000000e1 * t4752; in func_pol()
3024 …t5104 = -0.18005769000000000000e1 * t454 * t305 - 0.40000000000000000000e1 * t4752 - 0.36011538000… in func_pol()
|
| H A D | gga_c_optc.c | 6494 t4752 = t24 * t303; in func_pol()
6495 t4754 = t1383 * t4752 / 0.12e2; in func_pol()
10853 t15958 = t4744 * t4752; in func_pol()
10855 t15965 = t4749 * t4752; in func_pol()
11120 t16809 = t5041 * t4752; in func_pol()
18426 t53080 = t15962 * t4752; in func_pol()
18429 t53097 = t15984 * t4752; in func_pol()
18444 t53173 = t15955 * t4752; in func_pol()
18854 t54729 = t16817 * t4752 / 0.6e1; in func_pol()
18858 t54765 = 0.4e1 / 0.9e1 * t16806 * t4752; in func_pol()
[all …]
|
| H A D | gga_x_sfat.c | 3167 double t4752, t4755, t4756, t4759, t4760, t4761, t4762, t4766; in func_pol() local
5330 t4752 = t1397 * t4751; in func_pol()
5344 …2566370614359172954e2 * t519 * t4747 - 0.12566370614359172954e2 * t1382 * t4752 + 0.47374101125228… in func_pol()
6591 …265482457436691816e2 * t3631 * t4739 - 0.25132741228718345908e2 * t3631 * t4752 - 0.50265482457436… in func_pol()
|
| H A D | gga_c_gapc.c | 286 double t4748, t4749, t4752, t4753, t4756, t4761, t4762, t4763; in func_unpol() local
2564 t4752 = t257 * t1701; in func_unpol()
2582 …t4794 = 0.49240895655712845848e-7 * t4748 * t4749 - 0.56275309320814680970e-7 * t4752 * t4753 + 0.… in func_unpol()
3787 … * t1663 * t10457 - 0.16882592796244404291e-6 * t4752 * t1733 * t1453 - 0.84412963981222021455e-7 … in func_unpol()
4330 double t4744, t4747, t4748, t4749, t4752, t4758, t4759, t4762; in func_ferr() local
6656 t4752 = t398 * t313; in func_ferr()
6668 …+ 0.50027140879067581465e-9 * t4748 * t4749 - 0.34752370105806885416e-4 * t4752 * t534 - 0.3475237… in func_ferr()
7878 …t12587 = -0.10425711031742065625e-3 * t4752 * t1548 + 0.12681135893695290760e-5 * t4895 * t10273 -… in func_ferr()
|
| H A D | gga_c_pbeloc.c | 2102 double t4752, t4753, t4755, t4757, t4758, t4759, t4760, t4763; in func_pol() local
5224 t4752 = t4365 * t4751; in func_pol()
5225 t4753 = t4749 * t4752; in func_pol()
8160 t15712 = t15375 * t4752; in func_pol()
|
| H A D | gga_c_ft97.c | 12854 t4754 = t91 * t579 * t4752; in func_pol()
18257 t17124 = t2086 * t4752; in func_pol()
19758 t20892 = t91 * t3456 * t4752; in func_pol()
23598 t30087 = t1359 * t4752; in func_pol()
31660 t62548 = t91 * t9310 * t4752 * t2087; in func_pol()
33802 t76884 = t1039 * t4752; in func_pol()
33815 t76926 = t91 * t12703 * t4752; in func_pol()
35103 t86899 = t4752 * t4752; in func_pol()
35141 t87030 = t91 * t17128 * t4752; in func_pol()
40761 t118882 = t5890 * t28 * t586 * t5842 * t4752; in func_pol()
[all …]
|
| H A D | gga_c_acgga.c | 2775 double t4752, t4755, t4758, t4762, t4765, t4768, t4771, t4774; in func_pol() local
6303 t4752 = t2272 * t4751; in func_pol()
6307 …748036236139473944e-3 * t778 * t4748 + 0.34299214494455789578e-2 * t768 * t4752 + 0.20007875121765… in func_pol()
9464 t14858 = t2876 * t4752; in func_pol()
11955 t26640 = t5737 * t4752; in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_b88.c | 6247 t4752 = t621 * t4751; in func_pol()
6248 t4753 = t4752 * t387; in func_pol()
6462 t5042 = t4752 * t440; in func_pol()
8822 t14032 = t4752 * t1148; in func_pol()
8844 t14124 = t4752 * t1165; in func_pol()
9140 t16537 = t4752 * t1387; in func_pol()
9160 t16683 = t4752 * t1391; in func_pol()
9635 t19739 = 0.84000000000000000000e-1 * t4752 * t1554; in func_pol()
9645 t19842 = 0.16800000000000000000e0 * t4752 * t1522; in func_pol()
9725 t20575 = 0.28000000000000000000e-1 * t4752 * t1696; in func_pol()
[all …]
|
| H A D | mgga_x_scanl.c | 11020 double t4731, t4735, t4736, t4737, t4741, t4742, t4745, t4752; in func_pol() local
14591 t4752 = t1516 * t574; in func_pol()
18535 …t4752 * t4790 + 0.12751277419167548965e1 * t4774 * t4781 - 0.16879116930178234168e1 * t16728 * t47… in func_pol()
19104 … + 0.32937059624806545678e0 * t2055 * t16518 + 0.32937059624806545678e0 * t4752 * t6095 + 0.113787… in func_pol()
19224 …65e1 * t16547 * t20535 + 0.32937059624806545678e0 * t4752 * t6102 + 0.25502554838335097929e1 * t47… in func_pol()
19236 …t4752 * t6113 - 0.16468529812403272839e0 * t4774 * t6102 - 0.32937059624806545678e0 * t1527 * t205… in func_pol()
19630 … + 0.20307846858839536740e1 * t1527 * t22867 + 0.32937059624806545678e0 * t4752 * t7219 - 0.164685… in func_pol()
20306 …t4752 * t8538 - 0.85008516127783659765e0 * t6222 * t26486 - 0.19746155567343206400e2 * t9554 * t26… in func_pol()
20846 …t4752 * t9521 - 0.75858199451789026628e0 * t4752 * t9524 - 0.22757459835536707989e1 * t2055 * t231… in func_pol()
20915 …t30827 = 0.10979019874935515226e0 * t4752 * t9658 + 0.97972381755974563669e-1 * t9475 * t20086 - 0… in func_pol()
[all …]
|
| H A D | mgga_c_revscan.c | 4056 double t4722, t4725, t4728, t4731, t4745, t4746, t4749, t4752; in func_pol() local
8655 t4752 = t443 * t3859 * t148; in func_pol()
8669 …t4778 = 0.42838085885080124008e-2 * t3895 + t3900 - t3902 - 0.27105088088141248318e0 * t4752 * t47… in func_pol()
9219 …4 * t6059 - 0.84326940718661661431e0 * t6062 - 0.27105088088141248318e0 * t4752 * t6065 + 0.677627… in func_pol()
13105 …2e-1 * t13383 + 0.43368140941025997308e1 * t4752 * t1394 * t13385 * t12408 - 0.1626305285288474899… in func_pol()
14474 … t18192 + 0.36140117450854997756e-1 * t18194 - 0.27105088088141248318e0 * t4752 * t1726 * t5931 * … in func_pol()
14580 …* t18608 - 0.21419042942540062004e0 * t18610 + 0.21684070470512998654e1 * t4752 * t4867 * t18073 -… in func_pol()
14604 …29594e-1 * t16557 - 0.10842035235256499327e1 * t4752 * t16344 * t17521 + 0.21684070470512998654e1 … in func_pol()
15014 …t4752 * t1726 * t5958 * t20433 + 0.20328816066105936238e0 * t1724 * t1726 * t18213 * t4473 + 0.203… in func_pol()
15044 …44952e0 * t4752 * t16344 * t20660 + 0.64257128827620186014e-1 * t18618 - 0.36140117450854997757e-1… in func_pol()
[all …]
|
| H A D | mgga_xc_b98.c | 9850 t4752 = t41 * t1561; in func_pol()
11282 t7818 = t4752 * t7817; in func_pol()
12032 t8897 = t4752 * t8896; in func_pol()
13016 t10526 = t4752 * t10479; in func_pol()
13349 t10974 = t4752 * t10935; in func_pol()
13923 t11825 = t4752 * t11786; in func_pol()
14459 t12750 = t4752 * t12723; in func_pol()
14605 t12953 = t4752 * t12926; in func_pol()
14849 t13336 = t4752 * t13309; in func_pol()
15146 t13868 = t4752 * t13841; in func_pol()
[all …]
|
| H A D | mgga_x_mvsb.c | 2503 double t4712, t4718, t4725, t4726, t4740, t4745, t4752, t4757; in func_pol() local
5407 t4752 = t182 * t1699; in func_pol()
5408 …498 * t478 * t67 + 0.4000e4 / 0.3e1 * t1688 * t4704 + 0.80000e5 / 0.9e1 * t4752 * t4709 + 0.320e3 … in func_pol()
5973 …* t8148 - 0.1200e4 * t4745 * t8139 - 0.400e3 * t1688 * t8081 - 0.4000e4 * t4752 * t8085 + 0.2400e4… in func_pol()
6507 …t3594 + 0.320e3 * t4740 * t10416 - 0.1600e4 * t4745 * t10416 + 0.1600e4 * t4752 * t10416 - 0.160e3… in func_pol()
|
| H A D | hyb_mgga_x_m05.c | 2299 double t4752, t4755, t4758, t4760, t4766, t4768, t4770, t4772; in func_pol() local
4764 t4752 = t598 * t211 * t1896; in func_pol()
4767 …e1 * t4745 + 0.4e1 / 0.9e1 * t1865 * t19 * t314 * t1866 - 0.2e1 / 0.3e1 * t4752 + 0.4e1 / 0.3e1 * … in func_pol()
4921 …t5525 = -t4745 / 0.6e1 - t4752 / 0.6e1 + 0.2e1 / 0.3e1 * t4755 + t4758 / 0.3e1 - t4766 / 0.2e1 - 0… in func_pol()
|
| H A D | mgga_x_vt84.c | 6751 double t4745, t4748, t4751, t4752, t4755, t4756, t4757, t4760; in func_pol() local
9464 t4752 = t4751 * t272; in func_pol()
9474 …5886041478388186e-2 * t4748 * t1836 + 0.37815886041478388186e-2 * t1834 * t4752 + 0.14807123999999… in func_pol()
11920 …829062217582279e-2 * t13491 * t1836 + 0.11344765812443516456e-1 * t4748 * t4752 + 0.44421371999999… in func_pol()
11946 …t13669 = 0.11344765812443516456e-1 * t13638 * t1836 + 0.11344765812443516456e-1 * t4745 * t4752 - … in func_pol()
12011 …6879000858349194e2 * t14128 * t2872 + 0.11344765812443516456e-1 * t4796 * t4752 + 0.44421371999999… in func_pol()
12581 … * t15490 + 0.14807123999999999999e-2 * t17632 * t4757 + 0.37815886041478388186e-2 * t6374 * t4752; in func_pol()
12635 …8888888888888888e0 * t13563 * t3971 + 0.37815886041478388186e-2 * t6385 * t4752 + 0.14807123999999… in func_pol()
12668 …t18476 = 0.23343139531776782830e-3 * t13860 * t1464 + 0.37815886041478388186e-2 * t6416 * t4752 + … in func_pol()
13078 …t7086 * t1008 - 0.22826122605268852850e-4 * t7204 * t4752 + 0.37815886041478388186e-2 * t7198 * t4… in func_pol()
|
| H A D | mgga_x_mn12.c | 3738 double t4744, t4746, t4747, t4749, t4750, t4752, t4754, t4757; in func_pol() local
5702 t4752 = t8 * t385 * t2035; in func_pol()
5976 …t5856 = -t4747 + t4750 - 0.3e1 / 0.8e1 * t4752 - t5718 - t5722 - 0.3e1 / 0.8e1 * t5724 - t5824 + t… in func_pol()
6162 …t6396 = -t6194 + t6196 / 0.9e1 - t6200 - 0.3e1 / 0.8e1 * t6371 - t4747 + t4749 / 0.6e1 - t4752 / 0… in func_pol()
8109 …t14607 = -t12771 + t4749 - 0.3e1 / 0.2e1 * t4752 - 0.3e1 / 0.2e1 * t5717 - t12774 - 0.3e1 / 0.2e1 … in func_pol()
8117 …t14646 = -t12771 + 0.3e1 / 0.4e1 * t4749 - 0.3e1 / 0.4e1 * t4752 - t5718 - 0.7e1 / 0.2e1 * t6377 -… in func_pol()
8429 … + t15958 + t15981 + t16500 + t16544 + t17048) - t12771 + t4749 / 0.2e1 - t4752 / 0.4e1 - 0.2e1 * … in func_pol()
|
| H A D | mgga_x_revtm.c | 4776 double t4741, t4750, t4751, t4752, t4753, t4754, t4759, t4760; in func_pol() local
7010 t4752 = 0.146e3 / 0.135e3 * t4751; in func_pol()
7015 …3 + 0.292e3 / 0.135e3 * t1301 * t472 + 0.292e3 / 0.135e3 * t522 * t1184 - t4752 - t1831 + t4754 + … in func_pol()
9648 …6328 + 0.292e3 / 0.45e2 * t1298 * t1746 - t6341 + t6345 + t6347 + t4760 - t4752 + t4754 - 0.146e3 … in func_pol()
9882 …4e3 / 0.405e3 * t4727 * t639 + 0.584e3 / 0.405e3 * t317 * t6637 + t4760 - t4752 + t4754 + 0.584e3 … in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 179 double t4752, t4757, t4760, t4764, t4767, t4769, t4773, t4777; in func_unpol() local
1536 t4752 = t1303 * t4751; in func_unpol()
1540 …e1 * t680 * t1563 - 0.4e1 * t4747 + 0.8e1 * t4749 + 0.4e1 * t112 * t139 * t4752 - 0.4e1 / 0.3e1 * … in func_unpol()
1656 …e1 * t1560 * t823 + 0.12e2 * t112 * t1999 * t5109 + 0.4e1 * t112 * t171 * t4752 + 0.24e2 * t336 * … in func_unpol()
1734 …6 * t2273 * t5116 + 0.12e2 * t112 * t2293 * t5109 + 0.4e1 * t112 * t195 * t4752 - 0.4e1 / 0.3e1 * … in func_unpol()
|