| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_3.c | 941 double t4737, t4738, t4740, t4742, t4743, t4745, t4748, t4750; in func_pol() local
2778 t4737 = 0.24e2 * t140 * t126 * t132; in func_pol()
2781 …t4742 = -t4714 - t4716 - t4719 - t4722 - t4725 + t4727 + t4729 / 0.6e1 + t4733 / 0.6e1 + t4737 - 0… in func_pol()
2962 … 0.4e1 * t4725 + t4727 + t4729 / 0.8e1 + t4733 / 0.8e1 - t5179 / 0.24e2 - t4737 - t5181 + 0.60e2 *… in func_pol()
3073 …12e2 - t5657 / 0.12e2 - t5660 / 0.6e1 - t5664 / 0.12e2 - t5179 / 0.12e2 + t4737 + 0.64e2 * t4738 +… in func_pol()
3118 …2 + t4733 / 0.24e2 - t5657 / 0.4e1 - t5660 / 0.2e1 - t5664 / 0.4e1 - t5179 / 0.8e1 - t4737 + t5181; in func_pol()
3150 …t6220 = -t4719 + t4727 - t5657 / 0.2e1 - t5660 - t5664 / 0.2e1 - t5179 / 0.6e1 + t4737 - t4755 - t… in func_pol()
|
| H A D | lda_c_pk09.c | 2517 double t4728, t4734, t4737, t4738, t4739, t4740, t4741, t4742; in func_pol() local
4925 t4737 = 0.128e1 * t1159 * t260 * t4734; in func_pol()
4944 …1 * t4711 - 0.256e1 * t4713 + t4721 - 0.256e1 * t4723 + 0.256e1 * t4728 - t4737 + 0.128e1 * t247 *… in func_pol()
6256 …1 * t4711 - 0.128e1 * t4713 + t4721 - 0.128e1 * t4723 + 0.128e1 * t4728 - t4737 + 0.128e1 * t9468 … in func_pol()
6856 …1 * t9468 - 0.256e1 * t9492 + t4721 - 0.256e1 * t9471 + 0.256e1 * t9496 - t4737 + 0.128e1 * t247 *… in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_pbe.c | 1611 double t4732, t4737, t4740, t4742, t4743, t4744, t4745, t4748; in func_pol() local
4242 t4737 = 0.34367190188705947438e1 * t159 * t449 * t492 * t453 * t170; in func_pol()
4256 …t4767 = -t4732 - t4737 + t4740 + t4743 + t4745 + t4748 + t4750 - t4753 - t4756 + t4759 + t4762 + t… in func_pol()
4348 …t5341 = 0.3e1 * t142 * t240 * t4511 + 0.12e2 * t1875 * t240 * t246 + t4726 - t4732 - t4737 + t4740… in func_pol()
4501 …t5702 = -t5688 - t5690 + t5692 - t5694 - t5696 + t4692 + t5698 - t4732 - t4737 + t4740 + t5699 + t… in func_pol()
4599 …t6385 = 0.9e1 * t1961 * t240 * t320 - 0.9e1 * t240 * t548 * t787 - t4732 - t4737 + t4740 + t4748 -… in func_pol()
4746 …- t6827 - t6828 + t4692 - t6829 + t6831 + t6832 - t4732 + t6834 + t6836 - t4737 + t4740 + t6837 + … in func_pol()
4911 …t7950 = 0.3e1 * t142 * t240 * t7941 - 0.18e2 * t2345 * t2775 * t923 + t4692 - t4732 - t4737 + t474… in func_pol()
4928 …+ t7902 - t7903 + t7905 - t5690 - t7906 + t4692 - t7908 - t5698 - t4732 - t4737 + t4740 + t7948 + … in func_pol()
5040 …t8856 = t8852 + t8853 - t8854 + t4692 - t4696 - t4732 - t8855 - t4737 + t4740 + t4748 - t4753 - t4… in func_pol()
[all …]
|
| H A D | gga_xc_th2.c | 548 double t4737, t4738, t4741, t4742, t4755, t4758, t4761, t4782; in func_pol() local
1987 t4737 = t41 * t1259; in func_pol()
1988 t4738 = t4737 * t1260; in func_pol()
2148 t6269 = t4737 * t1971; in func_pol()
|
| H A D | gga_c_sogga11.c | 6159 t4738 = t1048 * t4737; in func_pol()
6162 t4744 = t1152 * t4737; in func_pol()
6163 t4746 = t1024 * t4737; in func_pol()
9703 t14661 = t3375 * t4737; in func_pol()
9704 t14663 = t3299 * t4737; in func_pol()
10106 t15515 = t3094 * t4737; in func_pol()
10190 t15696 = t3260 * t4737; in func_pol()
10407 t16161 = t3055 * t4737; in func_pol()
10441 t16240 = t3128 * t4737; in func_pol()
10822 t17838 = t4262 * t4737; in func_pol()
[all …]
|
| H A D | gga_c_scan_e0.c | 1630 double t4737, t4739, t4741, t4742, t4743, t4746, t4751, t4753; in func_pol() local
4295 t4737 = 0.64878869728179484639e0 * t4733 * t101 * t103 * t253; in func_pol()
4297 …460e1 * t4725 + 0.19756347548806534795e1 * t821 * t1415 * t1399 * t4727 + t4737 + 0.35126785941778… in func_pol()
4680 …83e-1 * t610 * t5914 * t2050 * t719 - 0.16463622957338778996e-1 * t5972 + t4737 + 0.87816964854445… in func_pol()
5005 …7 + 0.12805040077930161442e0 * t5701 + 0.76830240467580968652e0 * t5703 + t4737 + 0.11565819519348… in func_pol()
5181 …+ 0.29272321618148349055e-1 * t8444 + 0.49390868872016336989e-1 * t8447 + t4737 - t4751 - 0.493908… in func_pol()
5278 …0 + 0.11708928647259339622e0 * t8444 + 0.19756347548806534795e0 * t8447 + t4737 - t4751 + 0.263417… in func_pol()
|
| H A D | gga_x_n12.c | 1185 double t4737, t4741, t4743, t4745, t4747, t4751, t4752, t4767; in func_pol() local
2902 t4737 = 0.3e1 / 0.4e1 * t2142; in func_pol()
2903 …t4741 = -0.3e1 / 0.2e1 * t2139 - t4737 + t3077 - t1705 - t1710 - t1714 - t1723 - t1727 - 0.2e1 * t… in func_pol()
3213 …t6912 = -t3075 - t4737 + 0.3e1 / 0.4e1 * t2145 - t2663 / 0.3e1 - 0.2e1 * t2666 - 0.3e1 * t2670 - t… in func_pol()
|
| H A D | gga_c_gapc.c | 285 double t4733, t4734, t4737, t4740, t4741, t4742, t4743, t4746; in func_unpol() local
2556 t4737 = t776 * t570; in func_unpol()
2561 …- 0.14591718745976239987e-8 * t4732 * t4734 - 0.84412963981222021454e-7 * t4737 * t574 - 0.5627530… in func_unpol()
3785 … 0.11263749956689387915e-5 * t13432 * t9714 - 0.25323889194366606436e-6 * t4737 * t1734 - 0.260642… in func_unpol()
4329 double t4727, t4730, t4734, t4735, t4736, t4737, t4740, t4743; in func_ferr() local
6649 t4737 = t585 * t4736; in func_ferr()
6650 …27 * t1790 + 0.29517957899305555556e-5 * t4730 * t1798 + 0.43047021936487268519e-6 * t4735 * t4737; in func_ferr()
7103 …t4737 + 0.43478180206955282604e-5 * t5856 * t594 + 0.96531743177010740474e-9 * t92 * t5859 * t5498… in func_ferr()
7941 …e-2 * t398 * t13059 * t13062 + 0.12914106580946180556e-5 * t398 * t4734 * t4737 - 0.80952773553223… in func_ferr()
8049 …t14263 = -0.33809051968646769472e-4 * t141 * t12820 * t4737 - 0.50602213541666666667e-5 * t14228 *… in func_ferr()
[all …]
|
| H A D | gga_c_op_b88.c | 863 double t4727, t4733, t4735, t4737, t4739, t4743, t4745, t4749; in func_pol() local
2942 t4737 = t403 * t367; in func_pol()
2952 …2 * t4733 + 0.15000000000000000000e1 * t4735 + 0.54017307000000000000e1 * t4737 - 0.54017307000000… in func_pol()
3058 …2 + 0.21606922800000000000e2 * t4750 + t5159 + 0.36011538000000000000e1 * t4737 + t4973 + 0.216069… in func_pol()
|
| H A D | gga_x_sfat.c | 3166 double t4732, t4737, t4738, t4739, t4743, t4747, t4750, t4751; in func_pol() local
5323 t4737 = t1702 * t304; in func_pol()
5324 t4738 = t4737 * t227; in func_pol()
6589 …t1382 * t1383 * t4774 * t857 + 0.75398223686155037724e2 * t1382 * t3653 * t4737 * t655 - 0.3351032… in func_pol()
6591 … t1383 * t4477 * t304 * t227 - 0.25132741228718345908e2 * t1382 * t1383 * t4737 * t702 - 0.1894964… in func_pol()
|
| H A D | gga_xc_b97.c | 1857 double t4732, t4734, t4736, t4737, t4739, t4741, t4742, t4744; in func_pol() local
4748 t4737 = t4736 * t1072; in func_pol()
4768 …1 * t4732 + 0.10000000000000000000e1 * t4734 + 0.16082341588935348987e2 * t4737 + 0.50000000000000… in func_pol()
6963 …1 * t4732 + 0.30000000000000000000e1 * t4734 + 0.48247024766806046961e2 * t4737 + 0.15000000000000… in func_pol()
7431 …1 * t5586 + 0.20000000000000000000e1 * t4734 + 0.32164683177870697974e2 * t4737 + 0.10000000000000… in func_pol()
|
| H A D | gga_c_zvpbeint.c | 2439 double t4731, t4733, t4735, t4736, t4737, t4738, t4739, t4740; in func_pol() local
5881 t4737 = t489 * t3220; in func_pol()
5882 t4738 = t308 * t4737; in func_pol()
8862 …t14727 = -0.2e1 * t2292 * t4737 - 0.6e1 * t3139 * t5624 * t3140 + t13250 / 0.128e3 - 0.3e1 / 0.128… in func_pol()
9507 …t16990 = -0.3e1 / 0.32e2 * t16962 - 0.2e1 * t3089 * t4737 + 0.12e2 * t3139 * t4682 * t16966 - 0.9e… in func_pol()
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_m06l.c | 147 double t4606, t4610, t4683, t4695, t4729, t4733, t4737, t4745; in func_unpol() local
1311 t4737 = t1182 * t2427 * t10; in func_unpol()
1322 …* t4729 + 0.31680e5 * t4729 * t83 + 0.47520e5 * t4733 * t89 + 0.68640e5 * t4737 * t95 + 0.3360e4 *… in func_unpol()
1476 double t4692, t4725, t4728, t4731, t4734, t4737, t4740, t4743; in func_ferr() local
2649 t4737 = t68 * t2391; in func_ferr()
2654 …t4737 + 0.2880e4 * t1224 * t4740 + 0.28800e5 * t1280 * t4728 + 0.5880e4 * t1311 * t4743 + 0.10752e… in func_ferr()
2655 … + 0.7920e4 * t2439 * t4728 + 0.840e3 * t2468 * t4740 + 0.360e3 * t2530 * t4737 + 0.1680e4 * t2572… in func_ferr()
2658 …4753 + 0.720e3 * t174 * t4737 + 0.1920e4 * t181 * t4740 + 0.75504e5 * t231 * t4810 + 0.24e2 * t36 … in func_ferr()
2893 double t4717, t4718, t4721, t4722, t4729, t4730, t4737, t4741; in func_pol() local
5032 t4737 = t2459 * t4647; in func_pol()
[all …]
|
| H A D | mgga_x_tm.c | 170 double t4694, t4698, t4708, t4726, t4737, t4786, t4806, t4814; in func_unpol() local
1480 t4737 = t744 * t414; in func_unpol()
1658 … t2436 - 0.4959e4 / 0.10000e5 * t3242 * t2433 * t195 - 0.27e2 / 0.100e3 * t4737 * t544 - 0.27e2 / … in func_unpol()
1726 …0 + t7315) * t99 + 0.171e3 / 0.1000e4 * t3233 * t2591 - 0.9e1 / 0.100e3 * t4737 * t655 + 0.1048137… in func_unpol()
4221 double t4713, t4716, t4728, t4731, t4737, t4760, t4761, t4764; in func_pol() local
6469 …* t573 / 0.10e2 + t1126 * t1412 / 0.10e2 + t752 * t1782 / 0.10e2 + t274 * t4737 / 0.10e2 + t4788 *… in func_pol()
8274 … * t1335 * t2863 + t8480 * t573 / 0.10e2 + t3005 * t1412 / 0.5e1 + t752 * t4737 / 0.5e1 + t274 * (… in func_pol()
8811 …15995) / 0.10e2 + t752 * t5939 / 0.10e2 + t3005 * t1782 / 0.5e1 + t1126 * t4737 / 0.5e1 - 0.4959e4… in func_pol()
8834 … t2914 * t4627 - 0.9e1 / 0.50e2 * t8816 * t1754 - 0.9e1 / 0.50e2 * t757 * t4737 * t474 - 0.9e1 / 0… in func_pol()
9134 …* t474 / 0.10e2 + t752 * t6248 / 0.10e2 + t3513 * t1782 / 0.5e1 + t1380 * t4737 / 0.5e1 + t12908 *… in func_pol()
[all …]
|
| H A D | mgga_x_vt84.c | 6750 double t4729, t4730, t4733, t4736, t4737, t4740, t4741, t4742; in func_pol() local
9457 t4737 = t4736 * t272; in func_pol()
11926 …973991673819576612e0 * t4768 * t2897 - 0.23203454734276438670e0 * t4760 * t4737 - 0.46406909468552… in func_pol()
11970 …20e2 / 0.27e2 * t1851 * t1859 * t924 - 0.37589596669527830646e1 * t4733 * t4737 - t346 * t341 * t1… in func_pol()
11977 …29418595330348490e-3 * t13866 * t945 - 0.37589596669527830646e1 * t4791 * t4737 + 0.90541800000000… in func_pol()
12570 …29865556509276882e1 * t17498 * t1819 - 0.12529865556509276882e1 * t6355 * t4737 - 0.49061728395061… in func_pol()
12663 …t18407 = -0.12529865556509276882e1 * t6345 * t4737 + 0.25059731113018553764e1 * t14230 * t1464 + 0… in func_pol()
12986 …79063553565660e-3 * t20334 * t4765 - 0.93372558127107131321e-3 * t20337 * t4737 - 0.12e2 * t2514 *… in func_pol()
13001 …t20442 = -0.93372558127107131321e-3 * t20410 * t4737 + 0.15468969822850959113e0 * t17603 * t7191 -… in func_pol()
13011 …0469 * t4737 - 0.65232403421550219620e-7 * t20472 * t945 + 0.65232403421550219620e-7 * t20477 * t9… in func_pol()
[all …]
|
| H A D | mgga_c_tpss.c | 3618 double t4730, t4733, t4736, t4737, t4740, t4742, t4748, t4751; in func_pol() local
9482 t4737 = t7 * t4736; in func_pol()
9489 v2rhotau[0] = t1334 * t878 + t1341 * t870 + t372 * t4737 + t4754 * t872 + t4689 + t4740; in func_pol()
15775 …v3rhosigmatau[0] = t1217 * t4754 + t1224 * t4737 + t1334 * t4006 + t1341 * t3989 + t21350 * t372 +… in func_pol()
15921 …v3rhosigmatau[2] = t1265 * t4754 + t1272 * t4737 + t1334 * t4149 + t1341 * t4132 + t21699 * t372 +… in func_pol()
15982 …v3rhosigmatau[4] = t1316 * t4754 + t1320 * t4737 + t1334 * t4267 + t1341 * t4258 + t21965 * t372 +… in func_pol()
16354 …v3rhotau2[0] = 0.2e1 * t1334 * t4754 + 0.2e1 * t1341 * t4737 + t22937 * t372 + t22974 * t872 + t56… in func_pol()
16401 …v3rhotau2[1] = t1334 * t4814 + t1341 * t4797 + t1355 * t4754 + t1362 * t4737 + t23055 * t372 + t23… in func_pol()
23913 … + t65880 + 0.2e1 * t17528 * t1130 + t65883 + t65885 + t66948 + t7 * t66877 * t372 + t4737 * t3755; in func_pol()
33532 … t1272 + t1334 * t18897 + t24850 * t878 + t5524 * t4006 + t5431 * t4149 + t4737 * t5175 + t109408 … in func_pol()
[all …]
|
| H A D | mgga_x_rscan.c | 277 double t4734, t4737, t4738, t4743, t4746, t4749, t4752, t4754; in func_unpol() local
2841 t4737 = t164 * t1606; in func_unpol()
2842 t4738 = t4737 * t67; in func_unpol()
2886 t4946 = t4737 * t275; in func_unpol()
2887 t4949 = t4737 * t249; in func_unpol()
3369 t6046 = t4737 * t2097; in func_unpol()
3395 t6147 = t4737 * t476; in func_unpol()
6221 t20682 = t1358 * t4737 * t6888; in func_unpol()
6238 t20784 = t4737 * t1874; in func_unpol()
6250 t20835 = t1516 * t4737 * t1882; in func_unpol()
[all …]
|
| H A D | mgga_x_scanl.c | 236 double t4708, t4714, t4720, t4726, t4729, t4730, t4737, t4738; in func_unpol() local
2352 t4737 = t475 * t493; in func_unpol()
2353 t4738 = t4737 * t287; in func_unpol()
2642 t5906 = t4737 * t401; in func_unpol()
4714 t19963 = t4737 * t1156; in func_unpol()
5256 t25201 = t4737 * t1498; in func_unpol()
5273 t25278 = t4737 * t1647; in func_unpol()
7709 t4737 = t280 * t4629; in func_ferr()
14587 t4737 = t4735 * t4736; in func_pol()
18536 t16749 = t4737 * t574; in func_pol()
[all …]
|
| H A D | mgga_c_bc95.c | 2330 double t4727, t4729, t4731, t4733, t4735, t4737, t4758, t4771; in func_pol() local
5860 t4737 = t224 * t1646; in func_pol()
5883 …1 * t4733 - 0.50000000000000000001e0 * t4735 - 0.50000000000000000001e0 * t4737 - 0.50000000000000… in func_pol()
6055 t5106 = t4737 * t258; in func_pol()
9336 …52 - 0.92592592592592592594e0 * t4735 * t645 - 0.92592592592592592594e0 * t4737 * t645 + 0.2233608… in func_pol()
9423 … + 0.69444444444444444444e-1 * t4735 * t867 + 0.69444444444444444444e-1 * t4737 * t867 - 0.5956288… in func_pol()
10448 …t4737 * t75 + 0.14393842592592592593e-1 * t1594 * t1961 * t600 + 0.69444444444444444442e-1 * t4733… in func_pol()
|
| H A D | mgga_x_mbeef.c | 17002 t4737 = t1057 * t1057; in func_ferr()
17003 t4738 = t1416 * t4737; in func_ferr()
17009 t4753 = t1429 * t4737; in func_ferr()
17013 t4762 = t1442 * t4737; in func_ferr()
17017 t4780 = t86 * t4737; in func_ferr()
17022 t4808 = t1337 * t4737; in func_ferr()
19297 t14337 = t57 * t4737; in func_ferr()
24117 t39804 = t4737 * t33; in func_ferr()
24331 t40666 = t82 * t4737; in func_ferr()
25914 t50654 = t4737 * t34; in func_ferr()
[all …]
|
| H A D | mgga_x_mbrxc_bg.c | 3448 t4737 = t1620 * t52; in func_unpol()
3450 t4739 = t4737 * t4738; in func_unpol()
3455 t4760 = t4737 * t4397; in func_unpol()
3657 t5234 = t4737 * t5233; in func_unpol()
5329 t10236 = t4737 * t10235; in func_unpol()
5335 t10246 = t4737 * t10245; in func_unpol()
6310 t15618 = t4737 * t15418; in func_unpol()
6435 t16262 = t4737 * t16261; in func_unpol()
6966 t19034 = t4737 * t19028; in func_unpol()
7140 t19860 = t4737 * t18878; in func_unpol()
[all …]
|
| H A D | mgga_x_pbe_gx.c | 2651 double t4728, t4737, t4747, t4750, t4756, t4764, t4767, t4772; in func_pol() local
5553 t4737 = t424 * t1404 * t587; in func_pol()
5559 …* t619 * t620 * t576 / 0.2e1 - 0.40621960000000000002e-2 * t123 * t4448 - t4737 / 0.3e1 - t424 * t… in func_pol()
5622 …e1 / 0.27e2 * t4723 - 0.75225851851851851852e-3 * t4728 - 0.2e1 / 0.9e1 * t4737 - t4747 / 0.9e1 + … in func_pol()
|
| H A D | mgga_x_sa_tpss.c | 242 double t4732, t4735, t4737, t4739, t4741, t4743, t4746, t4750; in func_unpol() local
2228 t4737 = t147 * t651; in func_unpol()
2229 t4739 = t1824 * t4737 * t150; in func_unpol()
2232 t4746 = t1829 * t4737 * t500; in func_unpol()
2235 t4756 = t1560 * t4737 * t1564; in func_unpol()
3960 double t4698, t4700, t4706, t4709, t4716, t4733, t4737, t4740; in func_ferr() local
5829 …t4737 = (0.29830500000000000000e0 * t292 * t1443 - 0.52824843750000000000e-1 * t296 * t1446 + 0.18… in func_ferr()
5830 …1479 + 0.73e2 / 0.300e3 * t3597 * t413 + 0.1971e4 / 0.100e3 * t2310 * t1476 + t4737 * t57 / 0.24e2; in func_ferr()
6926 … - 0.73e2 / 0.150e3 * t3597 * t1056 - 0.1971e4 / 0.25e2 * t2310 * t3967 - t4737 * t188 / 0.9e1 + 0… in func_ferr()
7216 …- 0.73e2 / 0.97200e5 * t15095 * t88 + 0.73e2 / 0.400e3 * t10483 * t4459 + t4737 * t303 / 0.12e2 + … in func_ferr()
|
| H A D | mgga_x_2d_prhg07.c | 4508 double t4729, t4737, t4740, t4745, t4749, t4752, t4753, t4755; in func_pol() local
7924 t4737 = t1517 * t4705; in func_pol()
7928 … / 0.16e2 * t4174 * t1517 * t4719 - 0.9e1 / 0.32e2 * t188 * t219 * t221 * t4737 + 0.9e1 / 0.8e1 * … in func_pol()
9251 …t9945 = 0.3e1 / 0.4e1 * t1501 * t9905 - 0.3e1 / 0.32e2 * t139 * t6206 * t590 * t4737 - 0.9e1 / 0.8… in func_pol()
10033 …+ 0.3e1 / 0.4e1 * t1827 * t12537 - 0.3e1 / 0.32e2 * t139 * t6206 * t686 * t4737 + 0.3e1 / 0.2e1 * … in func_pol()
10341 …- 0.3e1 / 0.8e1 * t13962 * t9864 - 0.3e1 / 0.32e2 * t139 * t6206 * t746 * t4737 - 0.3e1 / 0.8e1 * … in func_pol()
|
| H A D | mgga_c_b88.c | 2729 double t4733, t4734, t4735, t4736, t4737, t4738, t4739, t4740; in func_pol() local
6232 t4737 = 0.56000000000000000000e-1 * t4736; in func_pol()
6238 …27 - t4631 - t4638 + t4640 + t4642 - t4644 - t4729 + t4731 - t4733 + t4735 - t4737 + t4739 - t4742; in func_pol()
6624 …t5251 = -t5233 - t4638 - t5235 - t4737 + t4739 + t4754 - t4811 + t5238 + t5242 + t5246 - t5248 - t… in func_pol()
|