| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_op_b88.c | 842 double t4061, t4064, t4067, t4068, t4069, t4072, t4075, t4078; in func_pol() local
2768 t4067 = t3919 * t3276; in func_pol()
2775 …t4092 = 0.18601554981168000000e3 * t4067 * t4069 - 0.46503887452920000000e2 * t952 * t4072 + 0.232… in func_pol()
4559 … - 0.62005183270560000000e2 * t4067 * t15942 + 0.44338814196768000000e2 * t4078 * t15947 + 0.18601… in func_pol()
4565 …000e1 * t4085 * t15970 - 0.37203109962336000000e3 * t4067 * t15970 - 0.26603288518060800000e3 * t4… in func_pol()
4733 …00e3 * t17187 * t17171 + 0.37203109962336000000e3 * t4067 * t17174 - 0.26603288518060800000e3 * t4… in func_pol()
4897 …t4067 * t18668 - 0.42271665984000000000e1 * t16868 * t18672 + 0.18601554981168000000e3 * t3983 * t… in func_pol()
4921 …- 0.11160932988700800000e4 * t17187 * t18856 + 0.55804664943504000000e3 * t4067 * t18859 + 0.29559… in func_pol()
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| H A D | gga_x_sfat_pbe.c | 3368 double t4067, t4071, t4075, t4076, t4077, t4078, t4081, t4083; in func_pol() local
5537 t4067 = t64 * t2953 * t1013; in func_pol()
5569 …t4157 = 0.25523556007712458756e-6 * t4059 * t4061 - 0.15077445341754275135e-5 * t4065 * t4067 - 0.… in func_pol()
5633 …5126408226622673e-5 * t4367 * t4061 + 0.16082608364537893478e-4 * t4375 * t4067 + 0.24879657008084… in func_pol()
7078 …t4067 + 0.45046647286436069346e-3 * t1554 * t8070 * t4083 * t10826 * t10582 + 0.111498842321813988… in func_pol()
7141 …25093613680432e-4 * t11311 * t4067 - 0.34128354920363578045e-5 * t11315 * t4111 - 0.32165216729075… in func_pol()
7397 …4897058e-3 * t4957 * t8180 * t4914 + 0.32165216729075786954e-4 * t12874 * t4067 + 0.49759314016168… in func_pol()
7468 …t13513 = -0.30154890683508550269e-5 * t13247 * t4067 - 0.46649356890158273110e-5 * t13247 * t4071 … in func_pol()
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| H A D | gga_x_ityh.c | 143 double t4066, t4067, t4077, t4081, t4086, t4091, t4111, t4119; in func_unpol() local
1112 t4067 = t677 * t127; in func_unpol()
1121 …t4136 = 0.2e1 * t527 * t219 * t292 * t4067 - 0.3e1 / 0.2e1 * t1132 * t694 * t278 * t4067 - 0.54e2 … in func_unpol()
1188 t4865 = t17 * t468 * t4067; in func_unpol()
1190 t4874 = t467 * t1388 * t4067; in func_unpol()
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| H A D | gga_c_acggap.c | 192 double t4026, t4027, t4037, t4040, t4045, t4058, t4062, t4067; in func_unpol() local
1578 t4067 = t1047 * t78; in func_unpol()
4105 double t4057, t4059, t4060, t4062, t4064, t4066, t4067, t4069; in func_pol() local
8297 t4067 = t1629 * t812; in func_pol()
8298 t4069 = t1278 * t4067 * t451; in func_pol()
14894 …t24716 = -0.3e1 * t1278 * t1895 * t4067 + 0.9e1 * t1297 * t5401 * t817 + 0.18e2 * t1323 * t1637 * … in func_pol()
16666 …t19359 * t2491 * t7208 + 0.4e1 * t19465 * t9006 * t9007 - 0.2e1 * t2113 * t4067 * t544 - 0.6e1 * t… in func_pol()
18544 …* t11088 * t4001 * t7208 - 0.2e1 * t2116 * t544 * t9358 - 0.2e1 * t2199 * t4067 * t544 - 0.6e1 * t… in func_pol()
18561 … + 0.3e1 * t1904 * t38432 * t544 - t19329 * t544 * t602 - 0.2e1 * t2305 * t4067 * t544 - 0.6e1 * t… in func_pol()
19274 …t40869 = -t19329 * t544 * t620 + 0.2e1 * t2199 * t5433 * t544 - 0.2e1 * t2358 * t4067 * t544 + 0.6… in func_pol()
[all …]
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| H A D | gga_c_optc.c | 2422 double t4054, t4055, t4058, t4059, t4062, t4063, t4066, t4067; in func_pol() local
6240 t4067 = t254 * t4066; in func_pol()
6241 t4068 = t4067 * t2145; in func_pol()
6250 t4097 = t4067 * t242; in func_pol()
9585 t12248 = t4067 * t2156; in func_pol()
9613 t12315 = t4067 * t3329; in func_pol()
9638 t12375 = t4067 * t12370; in func_pol()
15633 …t4067 * t22136 - 0.34772645959155031418e0 * t35003 + 0.16121825426676543132e0 * t34989 * t35006 - … in func_pol()
15790 … 0.18137053605011111023e1 * t22055 * t720 * t4067 * t34709 - 0.30228422675018518372e-1 * t785 * t7… in func_pol()
17107 … t778 * t763 * t2189 * t44131 - 0.90685268025055555116e-1 * t785 * t720 * t4067 * t8859 - 0.302284… in func_pol()
[all …]
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| H A D | gga_c_zpbeint.c | 1969 double t4061, t4063, t4064, t4065, t4066, t4067, t4068, t4071; in func_pol() local
4849 t4067 = t1290 * t4066; in func_pol()
4850 t4068 = 0.3e1 / 0.16e2 * t4067; in func_pol()
4924 t4200 = 0.3e1 / 0.8e1 * t4067; in func_pol()
7497 …699 + t12700 - 0.6e1 * t4057 + 0.18e2 * t4059 + t12703 + 0.9e1 / 0.16e2 * t4067 + 0.9e1 / 0.16e2 *… in func_pol()
7533 … + t12983 + t13003 + t13027 + t13040 + t13055) + t13060 + 0.9e1 / 0.8e1 * t4067 + 0.9e1 / 0.8e1 * … in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2055 double t4053, t4054, t4058, t4060, t4064, t4067, t4072, t4078; in func_pol() local
4429 t4067 = t333 * t1467; in func_pol()
4466 …59 - t1402 * t4165 - t1402 * t4170 + 0.3e1 * t3836 + t3839 - t3841 + 0.3e1 * t4067 + t4082 - t4161; in func_pol()
4527 …+ 0.2e1 * t1402 * t4337 - t1402 * t4340 + 0.6e1 * t3717 * t4265 + 0.6e1 * t4067 + 0.2e1 * t4082 - … in func_pol()
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| H A D | gga_x_gg99.c | 3643 double t4058, t4059, t4061, t4062, t4063, t4064, t4065, t4067; in func_pol() local
6364 t4067 = t169 * t1360 * t550; in func_pol()
6365 t4068 = t2559 * t4067; in func_pol()
8518 t12320 = t8322 * t4067; in func_pol()
8646 …535 * t550 - t12875 - 0.28e2 / 0.81e2 * t12876 - 0.4e1 / 0.81e2 * t8892 * t4067 - t12881 - 0.4e1 /… in func_pol()
9129 …69 * t5417 * t550 - 0.16e2 / 0.243e3 * t16641 - 0.8e1 / 0.81e2 * t12882 * t4067 - 0.4e1 / 0.27e2 *… in func_pol()
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| H A D | gga_c_hcth_a.c | 1546 double t4061, t4062, t4067, t4069, t4070, t4071, t4072, t4073; in func_pol() local
3975 t4067 = t630 * t2874; in func_pol()
4063 … + 0.25908916666666666667e-2 * t630 * t2871 + 0.17272611111111111111e-2 * t4067 - 0.38597957430933… in func_pol()
4616 …- 0.77604045146005168612e-2 * t2669 * t5556 + 0.86363055555555555557e-3 * t4067 + 0.86363055555555… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_xc_b97mv.c | 3811 double t4058, t4059, t4062, t4066, t4067, t4068, t4071, t4074; in func_pol() local
7152 t4067 = t33 * t4066; in func_pol()
7153 t4068 = t4067 * t40; in func_pol()
7619 t5002 = t4067 * t306; in func_pol()
7630 …3904000000000000e-4 * t1794 * t4067 - 0.71827430400000000000e-6 * t1797 * t4067 + 0.14365486080000… in func_pol()
7780 t5338 = t4067 * t140; in func_pol()
11964 …t4067 + 0.63344512000000000000e-1 * t1849 * t667 * t16381 - 0.19003353600000000000e-3 * t1853 * t6… in func_pol()
12556 t19598 = t701 * t4067; in func_pol()
12631 …t4067 + 0.73298649600000000000e-6 * t1853 * t5672 * t4067 + 0.32577177600000000000e-3 * t1839 * t2… in func_pol()
14437 …t4067 - 0.73298649600000000000e-6 * t1844 * t10341 * t4067 + 0.22211712000000000000e-1 * t16400 * … in func_pol()
[all …]
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| H A D | mgga_x_m08.c | 135 double t4042, t4046, t4057, t4059, t4063, t4067, t4077, t4083; in func_unpol() local
1125 t4067 = t73 * t1390 * t539; in func_unpol()
1131 …26000e5 / 0.3e1 * t53 * t4067 + 0.10400e5 / 0.3e1 * t1467 * t4059 + 0.20800e5 * t616 * t4063 + 0.1… in func_unpol()
1139 …30000e6 / 0.3e1 * t626 * t4067 + 0.65000e5 * t197 * t4077 + 0.91000e5 / 0.3e1 * t65 * t4083 + 0.52… in func_unpol()
1150 … * t4077 + 0.91000e5 / 0.3e1 * t125 * t4083 + 0.52000e5 / 0.3e1 * t1748 * t4067 + 0.78000e5 * t760… in func_unpol()
1156 …t4067 + 0.10400e5 / 0.3e1 * t1700 * t4059 + 0.20800e5 * t808 * t4063 + 0.104000e6 / 0.3e1 * t278 *… in func_unpol()
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| H A D | mgga_k_pc07.c | 8082 double t4032, t4037, t4046, t4047, t4050, t4053, t4060, t4067; in func_pol() local
10725 t4067 = t2559 * t509; in func_pol()
10736 t4108 = t4067 * t2600; in func_pol()
11263 t5535 = t4067 * t3432; in func_pol()
11826 t7090 = t4067 * t4672; in func_pol()
13455 t13914 = t4067 * t9629; in func_pol()
14353 …1045487556e2 * t4067 * t11548 + 0.58082642e0 * t18630 * t1168 - 0.10778e1 * t1338 * t15600 - 0.215… in func_pol()
14380 t18926 = t4067 * t3436; in func_pol()
14874 …8e1 * t21366 - 0.1878044146428e1 * t21071 - 0.21556e1 * t21487 + 0.626014715476e0 * t4067 * t13644; in func_pol()
15718 … + 0.156503678869e0 * t4067 * t16102 + 0.843398325425041e-1 * t13571 * t15830 + 0.156503678869e0 *… in func_pol()
[all …]
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| H A D | mgga_x_mbrxh_bg.c | 16967 t4067 = t212 * t176; in func_pol()
16968 t4068 = t795 * t4067; in func_pol()
16971 t4072 = t235 * t4067; in func_pol()
16975 t4077 = t617 * t4067; in func_pol()
16978 t4081 = t1038 * t4067; in func_pol()
17014 t4137 = t802 * t4067; in func_pol()
24847 t20066 = t194 * t4067; in func_pol()
24939 t20318 = t2670 * t4067; in func_pol()
27098 t30270 = t2998 * t4067; in func_pol()
27099 t30277 = t3024 * t4067; in func_pol()
[all …]
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| H A D | mgga_x_edmgga.c | 3470 double t4059, t4067, t4068, t4079, t4080, t4083, t4087, t4088; in func_pol() local
5525 …t4067 = -0.38573713798808385273e-2 * t3661 + 0.50542226225514403291e0 * t3665 + 0.2527111311275720… in func_pol()
5526 t4068 = t25 * t4067; in func_pol()
5540 … t1442 + 0.70819478890314631335e-1 * t54 * t236 * t4067 + 0.16615495624729559964e1 * t240 * t61 * … in func_pol()
7170 t11951 = t110 * t4067; in func_pol()
7172 …59964e1 * t777 * t2330 * t1442 + 0.33230991249459119928e1 * t777 * t778 * t4067 + 0.33230991249459… in func_pol()
7174 t11974 = t4067 * t661; in func_pol()
7824 …9964e1 * t777 * t3295 * t1442 + 0.16615495624729559964e1 * t777 * t1157 * t4067 + 0.16615495624729… in func_pol()
8031 …9964e1 * t777 * t3912 * t1442 + 0.16615495624729559964e1 * t777 * t1381 * t4067 - 0.35409739445157… in func_pol()
8095 …4700e0 * t772 * t980 * t4067 + 0.49846486874188679892e1 * t777 * t15085 * t1442 + 0.49846486874188… in func_pol()
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| H A D | mgga_x_scan.c | 3228 double t4064, t4067, t4068, t4070, t4072, t4073, t4076, t4078; in func_pol() local
5757 t4067 = t236 * t252 * t72; in func_pol()
5758 t4068 = t1506 * t4067; in func_pol()
5764 t4079 = t4078 * t4067; in func_pol()
6042 t4462 = t1662 * t4067; in func_pol()
6046 t4469 = t4468 * t4067; in func_pol()
6216 … 0.5e1 / 0.162e3 * t1769 * t4067 - 0.5e1 / 0.81e2 * t4755 * t4072 - 0.5e1 / 0.486e3 * t1667 + 0.5e… in func_pol()
7758 …t4067 + 0.5e1 / 0.486e3 * t4062 * t236 * t4072 + 0.5e1 / 0.10368e5 * t1506 * t11287 + 0.125e3 / 0.… in func_pol()
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| H A D | mgga_c_revtpss.c | 14037 t9901 = t4067 * t487; in func_pol()
16408 t16640 = t4067 * t1072; in func_pol()
17945 t20908 = t4067 * t1350; in func_pol()
17960 t20943 = t66 * t1343 * t4067; in func_pol()
18158 t21548 = t4067 * t1444; in func_pol()
19041 t24524 = t4067 * t1546; in func_pol()
19075 t24643 = t4067 * t1567; in func_pol()
29702 t78557 = t97 * t4067; in func_pol()
29704 t78562 = t96 * t4067; in func_pol()
30202 t81057 = t66 * t4962 * t4067; in func_pol()
[all …]
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| H A D | mgga_x_m06l.c | 2872 double t4063, t4064, t4067, t4068, t4071, t4072, t4075, t4076; in func_pol() local
4707 t4067 = t226 * t249; in func_pol()
4708 t4068 = t4067 * tau[1]; in func_pol()
6439 …t10464 = 0.1300e4 * t214 * t4067 + 0.26000e5 / 0.9e1 * t517 * t4067 + 0.14300e5 / 0.9e1 * t219 * t… in func_pol()
6447 …67 * t4177 + 0.520e3 / 0.3e1 * t184 * t4152 + 0.14300e5 / 0.9e1 * t1252 * t4067 + 0.260e3 / 0.3e1 … in func_pol()
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| H A D | mgga_x_2d_prhg07.c | 166 double t4059, t4060, t4061, t4062, t4067, t4068, t4087, t4088; in func_unpol() local
1485 t4067 = t363 * t1145; in func_unpol()
1486 t4068 = 0.3e1 / 0.32e2 * t4067; in func_unpol()
1635 t4512 = 0.3e1 / 0.16e2 * t4067; in func_unpol()
1723 …e1 / 0.2e1 * t34 * t248 * t2053 - t1340 * t918 / 0.8e1 - 0.9e1 / 0.32e2 * t4067 - 0.9e1 / 0.16e2 *… in func_unpol()
2355 double t4061, t4062, t4063, t4064, t4065, t4066, t4067, t4068; in func_ferr() local
3682 t4067 = t3416 / 0.4e1; in func_ferr()
3684 …t4071 = t4057 - t4058 - t4059 - t4060 - t4061 + t4062 + t4063 - t4064 - t4065 - t4066 + t4067 + t4… in func_ferr()
3708 …t4255 = t4067 + t4068 - 0.11e2 / 0.8e1 * t4192 * t1332 * t4194 - 0.11e2 / 0.4e1 * t4199 * t3961 + … in func_ferr()
3738 …t4400 = -t4395 + t4396 + t4397 - t4060 - t4061 + t4062 + t4063 - t4064 - t4065 - t4066 + t4067 + t… in func_ferr()
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| H A D | mgga_x_scanl.c | 5571 double t4064, t4067, t4068, t4071, t4072, t4075, t4076, t4081; in func_ferr() local
7524 t4067 = t236 * t1871; in func_ferr()
7532 …88 * t4055 + 0.238156450669527040e0 * t2482 * t4064 + 0.2766001889280e1 * t4067 * t4068 - 0.493653… in func_ferr()
9021 …t11755 = 0.476312901339054080e0 * t2482 * t11713 + 0.5532003778560e1 * t4067 * t11716 + 0.21958039… in func_ferr()
9061 … * t11945 + 0.476312901339054080e0 * t2482 * t11948 + 0.5532003778560e1 * t4067 * t11919 - 0.19834… in func_ferr()
9134 …65 * t2412 + 0.476312901339054080e0 * t4086 * t2341 + 0.2766001889280e1 * t4067 * t11620 + 0.29619… in func_ferr()
9675 … * t16543 + 0.476312901339054080e0 * t2482 * t16177 + 0.5532003778560e1 * t4067 * t16180 + 0.47631… in func_ferr()
9685 …25 * t878 + 0.238156450669527040e0 * t2482 * t16618 + 0.2766001889280e1 * t4067 * t16621 + 0.36614… in func_ferr()
9710 …t16781 = 0.5532003778560e1 * t4067 * t16169 - 0.21968466899514280222e2 * t4046 * t16173 + 0.299673… in func_ferr()
9955 … * t18416 + 0.238156450669527040e0 * t2482 * t18684 + 0.2766001889280e1 * t4067 * t18687 + 0.36614… in func_ferr()
[all …]
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| H A D | mgga_x_mn12.c | 155 double t4055, t4057, t4062, t4067, t4072, t4075, t4077, t4078; in func_unpol() local
1308 t4067 = t294 * t9; in func_unpol()
1310 …66666666666666668e-5 * t4062 * t4045 + 0.512e-6 * t263 * t120 + 0.64e-4 * t4067 * t170 + 0.512e-6 … in func_unpol()
1743 … t120 + 0.1536e-5 * t1098 * sigma[0] * t120 - 0.68266666666666666666e-3 * t4067 * t449 + 0.7600355… in func_unpol()
2054 double t4022, t4031, t4060, t4062, t4067, t4070, t4073, t4078; in func_ferr() local
3056 t4067 = t1914 * t197; in func_ferr()
3090 …t4288 = 0.26666666666666666666e0 * t4067 * t469 + 0.39999999999999999999e0 * t4070 * t469 + 0.1333… in func_ferr()
3389 ….10666666666666666666e0 * t1914 * t476 * t69 - 0.35555555555555555555e0 * t4067 * t970 - 0.5333333… in func_ferr()
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| H A D | mgga_x_mvsb.c | 2480 double t4056, t4058, t4067, t4070, t4073, t4076, t4079, t4082; in func_pol() local
5049 t4067 = t820 * t1292; in func_pol()
5059 … * t1181 - t361 * t1195 / 0.4e1 + 0.5e1 / 0.64e2 * t3238 * t1274 - t304 * t4067 / 0.16e2 - 0.45e2 … in func_pol()
6743 …7 + 0.5e1 / 0.8e1 * t361 * t3250 + 0.5e1 / 0.16e2 * t361 * t3256 + t812 * t4067 / 0.6e1 - 0.13e2 /… in func_pol()
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| H A D | mgga_c_bc95.c | 2286 double t4054, t4056, t4058, t4060, t4062, t4064, t4066, t4067; in func_pol() local
5507 t4067 = t4066 * t1269; in func_pol()
5516 …1 * t4062 + 0.11168041318536482685e1 * t4064 - 0.11111111111111111111e1 * t4067 - 0.11111111111111… in func_pol()
8463 …0 * t4062 + 0.33504123955609448055e1 * t4064 - 0.33333333333333333333e1 * t4067 - 0.33333333333333… in func_pol()
9441 …0 * t5140 - 0.18424118518518518519e0 * t5143 - 0.22222222222222222222e1 * t4067 - 0.22222222222222… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_tb09.c | 2201 double t3974, t3979, t3984, t3997, t4021, t4039, t4045, t4067; in func_ferr() local
3476 t4067 = t54 * t962 * t102; in func_ferr()
3478 …74 - 0.2e1 / 0.3e1 * t157 * t2326 - 0.2e1 / 0.3e1 * t553 * t494 + 0.2e1 * t4067 * t106 - 0.2e1 / 0… in func_ferr()
3870 …t5750 = -0.2e1 / 0.3e1 * t179 * t2916 - 0.2e1 / 0.3e1 * t157 * t3357 + 0.2e1 * t4067 * t143 + 0.2e… in func_ferr()
3997 …* t154 + t711 - t643 - 0.2e1 * t3 * t25 * (t6649 + t6700) * t32 + 0.4e1 * t4067 * t171 - 0.4e1 * t… in func_ferr()
4015 …70) * t32 + 0.2e1 * t4377 * t171 - 0.2e1 / 0.3e1 * t157 * t4348 + 0.4e1 * t4067 * t193 + 0.4e1 / 0… in func_ferr()
4259 double t4061, t4062, t4065, t4067, t4073, t4076, t4085, t4086; in func_pol() local
6355 t4067 = t419 * t4065 * t109; in func_pol()
6364 …t4096 = -0.8e1 / 0.3e1 * t685 * t4062 + 0.16e2 / 0.3e1 * t685 * t4067 - 0.12e2 * t3996 * t2266 - 0… in func_pol()
6583 …e1 * t4076 * t524 - 0.4e1 / 0.3e1 * t414 * t4062 + 0.8e1 / 0.3e1 * t414 * t4067 - 0.4e1 / 0.3e1 * … in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_pmgb06.c | 1546 double t4055, t4058, t4061, t4063, t4064, t4065, t4067, t4070; in func_pol() local
4618 t4067 = t1221 * t358; in func_pol()
4631 … + 0.6e1 * t1228 * t4081 + 0.6e1 * t4070 * t1229 - t359 * t4101 - 0.3e1 * t4067 * t365 + t4065 * t… in func_pol()
4784 …8 * t1241 + 0.4e1 * t4070 * t2251 - t359 * t4534 - 0.2e1 * t4485 * t365 - t4067 * t754 - 0.6e1 * t… in func_pol()
6499 … + t7988) * t68 - 0.4e1 * t7992 * t365 + 0.12e2 * t7995 * t1229 - 0.6e1 * t4067 * t1241 - 0.24e2 *… in func_pol()
8679 … t4488 * t4081 + 0.6e1 * t13210 * t1229 - 0.3e1 * t1223 * t4534 - 0.3e1 * t4067 * t2265 + 0.2e1 * … in func_pol()
8897 … * t754 - 0.2e1 * t1223 * t6897 - t6854 * t1241 - 0.2e1 * t14320 * t365 - t4067 * t2633 + 0.8e1 * … in func_pol()
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| H A D | lda_c_ml1.c | 431 double t4060, t4067, t4068, t4075, t4077, t4080, t4083, t4085; in func_pol() local
2212 …t4067 = -0.6e1 * t1076 * t4013 + 0.6e1 * t1076 * t4020 + 0.11e2 * t309 * t4013 + 0.3e1 * t309 * t4… in func_pol()
2213 t4068 = t4039 + t4067; in func_pol()
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