/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_m08.c | 3333 t635 = t634 * t4; in func_pol() 3724 v2rhosigma[5] = -t1721 / 0.2e1 - t635 * t1733 / 0.2e1 - 0.3e1 / 0.8e1 * t635 * t1761; in func_pol() 3857 v2rhotau[3] = -t2056 / 0.2e1 - t635 * t2067 / 0.2e1 - 0.3e1 / 0.8e1 * t635 * t2351; in func_pol() 4438 …t4153 - t4157 - t4159 - t635 * t1274 * t4160 / 0.6e1 - t635 * t1687 * t4164 - t635 * t1687 * t4167… in func_pol() 4498 …1 / 0.3e1 * t4252 - t4220 - t4262 - t635 * t4279 / 0.6e1 - t635 * t4283 - t635 * t4286 / 0.2e1 - 0… in func_pol() 4605 …t4334 - t4338 - t4340 - t635 * t1274 * t4341 / 0.6e1 - t635 * t1687 * t4345 - t635 * t1687 * t4348… in func_pol() 4721 …1 / 0.3e1 * t4878 - t4852 - t4888 - t635 * t4905 / 0.6e1 - t635 * t4909 - t635 * t4912 / 0.2e1 - 0… in func_pol() 4735 v3rhosigma2[0] = -t5410 / 0.2e1 - t635 * t5413 / 0.2e1 - 0.3e1 / 0.8e1 * t635 * t5440; in func_pol() 4955 v3rhotau2[0] = -t5548 / 0.2e1 - t635 * t5551 / 0.2e1 - 0.3e1 / 0.8e1 * t635 * t5901; in func_pol() 5015 v3rhotau2[5] = -t5904 / 0.2e1 - t635 * t5915 / 0.2e1 - 0.3e1 / 0.8e1 * t635 * t6263; in func_pol() [all …]
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H A D | mgga_x_tpss.c | 63 double t614, t617, t620, t622, t627, t629, t634, t635; in func_unpol() local 534 t635 = t134 * t634; in func_unpol() 1045 …e1 - 0.9e1 / 0.8e1 * t635 * t1944 + 0.3e1 / 0.4e1 * t635 * t1948 + t725 * t1952 / 0.3e1 - t511 * t… in func_unpol() 1120 …sigma2tau[0] = -0.9e1 / 0.8e1 * t635 * t2185 + 0.3e1 / 0.4e1 * t635 * t2189 - t886 * t2194 / 0.8e1… in func_unpol() 1158 …sigmatau2[0] = -0.9e1 / 0.8e1 * t635 * t2317 + 0.3e1 / 0.4e1 * t635 * t2321 - t886 * t2324 / 0.8e1… in func_unpol() 1582 …t635 * t636 * t5453 * t229 - 0.9e1 / 0.8e1 * t635 * t1384 * t1942 * t627 + 0.3e1 / 0.4e1 * t635 * … in func_unpol() 1623 …t635 * t3256 * t5819 * t229 - 0.27e2 / 0.8e1 * t635 * t1384 * t4680 * t713 - 0.3e1 / 0.2e1 * t725 … in func_unpol() 1697 …t635 * t3256 * t5819 * t301 - 0.27e2 / 0.8e1 * t635 * t1384 * t4680 * t877 + 0.9e1 / 0.16e2 * t886… in func_unpol() 3428 double t622, t623, t624, t625, t629, t632, t635, t641; in func_pol() local 4189 t635 = params->b * t59; in func_pol() [all …]
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H A D | mgga_k_pc07.c | 4723 t643 = t133 * t635; in func_ferr() 4732 t666 = -t635; in func_ferr() 5176 t1889 = t309 * t635; in func_ferr() 5178 t1895 = t318 * t635; in func_ferr() 5493 t2936 = t439 * t635; in func_ferr() 5506 t2974 = t74 * t635; in func_ferr() 5542 t3106 = t550 * t635; in func_ferr() 6295 t6696 = t994 * t635; in func_ferr() 6879 t10314 = t78 * t635; in func_ferr() 7498 t14724 = t635 * t635; in func_ferr() [all …]
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H A D | mgga_x_gvt4.c | 677 double t629, t632, t635, t640, t645, t650, t653, t659; in func_ferr() local 1044 t635 = t161 * t167; in func_ferr() 1111 …77824e-4 * t632 * t256 - 0.2240712e-1 * t834 * t10 + 0.1673596755648e-3 * t635 * t256 + 0.31749414… in func_ferr() 1274 double t627, t635, t637, t639, t641, t643, t645, t646; in func_pol() local 1813 …t635 = -0.32321473335432e-1 * t611 * t183 - 0.26934561112860000000e-1 * t232 - 0.746904e-2 * t452 … in func_pol() 1815 v2rhotau[3] = 0.4e1 / 0.3e1 * t600 + 0.4e1 / 0.3e1 * t528 * t608 + t231 * t635; in func_pol() 2336 t1418 = t64 * t635; in func_pol() 2337 t1420 = t635 * t158; in func_pol() 2347 t1435 = t635 * t172; in func_pol() 3246 t3400 = t162 * t635; in func_pol() [all …]
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H A D | mgga_c_m05.c | 593 t635 = t182 * t182; in func_unpol() 594 t636 = 0.1e1 / t635; in func_unpol() 1478 t2725 = t635 * t635; in func_unpol() 2223 t635 = t634 * t105; in func_ferr() 4349 t635 = t6 * t634; in func_pol() 4350 t636 = t635 * t46; in func_pol() 4916 t1597 = t635 * t356; in func_pol() 4918 t1600 = t635 * t416; in func_pol() 5092 t1918 = t635 * t572; in func_pol() 5174 t2086 = t635 * t757; in func_pol() [all …]
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H A D | mgga_x_mbrxh_bg.c | 6713 t635 = t49 * t634; in func_ferr() 14362 t635 = t235 * t89; in func_pol() 14364 t637 = t635 * t636; in func_pol() 14413 t696 = t635 * t695; in func_pol() 14677 t1018 = t635 * t1017; in func_pol() 15152 t1593 = t635 * t1592; in func_pol() 15798 t2458 = t635 * t2457; in func_pol() 15815 t2480 = t635 * t2479; in func_pol() 15922 t2654 = t635 * t2653; in func_pol() 15936 t2672 = t635 * t2671; in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_x_ncap.c | 68 double t629, t630, t631, t634, t635, t636, t637, t640; in func_unpol() local 495 t635 = t634 * t60; in func_unpol() 628 …t635 * t996 - 0.4e1 / 0.9e1 * t627 * t1002 + 0.4e1 / 0.27e2 * t619 * t1005 + 0.2e1 / 0.9e1 * t627 … in func_unpol() 835 …t635 * t1835 * t630 + 0.512e3 / 0.243e3 * t1839 * t1534 * t65 * t66 * t1792 + 0.128e3 / 0.729e3 * … in func_unpol() 850 …t1922 = 0.16e2 * t635 * t636 * t1867 - 0.8e1 / 0.3e1 * t627 * t1878 - 0.32e2 * t635 * t1012 * t187… in func_unpol() 903 … t993 - 0.8e1 * t635 * t636 * t2435 + 0.2e1 * t627 * t2440 + 0.24e2 * t635 * t1012 * t2439 + 0.2e1… in func_unpol() 918 …8 / 0.8e1 - t2499 * t631 / 0.3e1 + 0.56e2 / 0.3e1 * t635 * t288 * t42 * t1001 - 0.28e2 / 0.3e1 * t… in func_unpol() 945 …0.3e1 * t635 * t636 * t2626 + 0.4e1 / 0.9e1 * t627 * t2634 + 0.16e2 / 0.3e1 * t635 * t636 * t2633 … in func_unpol() 953 …t635 * t1012 * t2648 - 0.4e1 / 0.9e1 * t627 * t2657 - 0.16e2 / 0.3e1 * t635 * t636 * t2656 - 0.4e1… in func_unpol() 1129 double t627, t628, t631, t634, t635, t636, t637, t641; in func_ferr() local [all …]
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H A D | gga_x_g96.c | 405 double t628, t630, t631, t632, t634, t635, t636, t637; in func_pol() local 978 t635 = sigma[2] * t276; in func_pol() 979 t636 = t635 * t79; in func_pol() 1034 t727 = t635 * t96; in func_pol() 1398 …t635 * t186 - 0.56e2 / 0.1233e4 * t235 * t639 * t186 - 0.32e2 / 0.3699e4 * t1607 - 0.56e2 / 0.3699… in func_pol() 1420 …t613 + 0.8e1 / 0.411e3 * t543 * t236 * t617 - 0.16e2 / 0.1233e4 * t1615 * t635 * t222 + t1046 + t1… in func_pol() 1429 …+ 0.8e1 / 0.137e3 * t235 * t236 * t670 + 0.16e2 / 0.411e3 * t229 * t271 * t635 * t8 + 0.112e3 / 0.… in func_pol() 1448 …e3 * t235 * t236 * t752 - 0.32e2 / 0.1233e4 * t1615 * t635 * t256 - 0.32e2 / 0.411e3 * t634 * t635… in func_pol()
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H A D | gga_x_gg99.c | 1742 double t615, t616, t621, t622, t629, t630, t631, t635; in func_ferr() local 2223 t635 = t459 * t630 * t186; in func_ferr() 3415 double t627, t628, t632, t633, t634, t635, t636, t638; in func_pol() local 4491 t635 = t29 * t634; in func_pol() 5247 …1e2 / 0.32e2 * t635 * t2017 * t2019 + 0.9e1 / 0.16e2 * t635 * t598 * t2024 + 0.21e2 / 0.16e2 * t63… in func_pol() 6823 …t635 * t639 * t4890 + 0.3e1 / 0.8e1 * t635 * t222 * t4895 + 0.7e1 / 0.32e2 * t635 * t2017 * t4899 … in func_pol() 7389 …t635 * t222 * t1224 * t1569 + 0.35e2 / 0.8e1 * t6028 * t2047 - 0.3e1 / 0.32e2 * t219 * t2050 * t48… in func_pol() 7623 …t635 * t639 * t609 * t1896 * t198 + 0.3e1 / 0.2e1 * t635 * t222 * t617 * t1896 * t198 - 0.21e2 / 0… in func_pol() 8912 …t635 * t2050 * t14892 * t583 + t219 * t598 * t11380 * t411 / 0.8e1 + 0.7e1 / 0.32e2 * t635 * t2017… in func_pol() 8918 …t635 * t6846 * t15018 * t583 - 0.3e1 / 0.32e2 * t635 * t2050 * t1614 * t593 + 0.1547e4 / 0.16e2 * … in func_pol() [all …]
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H A D | gga_x_ol2.c | 519 double t625, t627, t629, t631, t633, t635, t636, t638; in func_pol() local 1026 t635 = t280 * t63; in func_pol() 1028 t638 = t289 * t635 * t636; in func_pol() 1064 t718 = t289 * t635 * t716; in func_pol() 1392 …t635 * t8 * t254 / 0.2e1 + t1384 - t289 * t720 * t501 / 0.2e1 + t599 * t623 * t600 / 0.3e1 - t1393… in func_pol() 1424 …t1596 = -0.4e1 / 0.9e1 * t614 * t635 * t291 * t8 + 0.4e1 / 0.9e1 * t599 * t608 * t268 * t8 - t7 * … in func_pol() 1459 … * t1430 * t290 * t868 * t106 - t614 * t635 * t325 * t8 / 0.3e1 - t289 * t290 * t123 * t767 / 0.2e… in func_pol()
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H A D | gga_x_lv_rpw86.c | 997 double t607, t610, t621, t622, t623, t626, t635, t636; in func_pol() local 1502 …t635 = -0.20566666666666666667e0 * t23 * t128 - 0.32092592592592592593e0 * t47 * sigma[0] * t154 -… in func_pol() 1503 t636 = t149 * t635; in func_pol() 1880 t1388 = t388 * t635; in func_pol() 1897 t1457 = t58 * t635; in func_pol() 1987 t1654 = t622 * t635; in func_pol() 2339 t3214 = t979 * t635; in func_pol() 2343 t3287 = t170 * t635 * t159; in func_pol() 2443 t3827 = t635 * t635; in func_pol() 2451 t3881 = t1465 * t635; in func_pol() [all …]
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H A D | gga_x_pbepow.c | 52 double t494, t526, t579, t589, t593, t635, t654, t684; in func_unpol() local 274 …t635 = 0.22297472228768489022e-195 * t27 * t49 * t53 * t375 - 0.16723104171576366767e-193 * t155 *… in func_unpol() 278 …gma2[0] = -t274 * t202 / 0.12e2 - t150 * t379 / 0.2e1 - 0.3e1 / 0.16e2 * t44 * t45 * (t635 + t684); in func_unpol() 644 double t633, t634, t635, t636, t638, t639, t641, t642; in func_pol() local 1135 t635 = 0.1e1 / t634; in func_pol() 1136 t636 = t8 * t635; in func_pol() 1542 t1398 = 0.12e2 * t635 - 0.12e2 * t1396; in func_pol() 1686 t2216 = 0.6e1 * t635 + 0.12e2 * t1396; in func_pol() 1717 t2429 = -0.12e2 * t635 - 0.12e2 * t1396; in func_pol()
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H A D | gga_k_thakkar.c | 736 double t622, t624, t628, t629, t631, t634, t635, t637; in func_pol() local 1215 t635 = t17 * t311; in func_pol() 1216 t637 = t83 * t635 * t89; in func_pol() 1295 t781 = t83 * t635 * t144; in func_pol() 1674 … 0.8e1 / 0.27e2 * t1528 - 0.4e1 / 0.9e1 * t1531 + t316 * t132 * t1533 + 0.2e1 * t235 * t635 * t236; in func_pol() 1700 …t1545 + 0.4e1 / 0.3e1 * t1548 + 0.2e1 * t83 * t1550 * t89 + 0.3e1 * t83 * t635 * t250 + 0.2e1 * t8… in func_pol() 1745 …7 * t317 / 0.3e1 + 0.2e1 / 0.3e1 * t1868 + 0.5e1 / 0.3e1 * t1871 + t235 * t635 * t335 + 0.2e1 / 0.… in func_pol() 1770 …40 * t77 * t1942 + 0.5e1 / 0.3e1 * t1948 + 0.2e1 / 0.3e1 * t1951 + t235 * t635 * t375 / 0.3e1 - 0.… in func_pol() 1773 … t44 * t1942 + t316 * t907 * t317 / 0.3e1 + 0.2e1 / 0.3e1 * t1985 + t83 * t635 * t380 / 0.2e1 - 0.… in func_pol()
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H A D | gga_k_ol1.c | 373 double t632, t633, t634, t635, t636, t637, t639, t641; in func_pol() local 852 t635 = t133 * t275; in func_pol() 853 t636 = t249 * t635; in func_pol() 1159 t1416 = t467 * t635; in func_pol() 1171 …t272 * t7 + 0.10e2 / 0.3e1 * t463 * t632 * t103 + 0.10e2 / 0.3e1 * t463 * t635 * t103 + 0.10e2 / 0… in func_pol()
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H A D | gga_k_ol2.c | 514 double t623, t625, t627, t630, t631, t633, t635, t637; in func_pol() local 997 t635 = t119 * t196; in func_pol() 998 t637 = t181 * t72 * t635; in func_pol() 1302 t1232 = t181 * t186 * t635; in func_pol() 1306 …/ 0.3e1 * t1248 + t181 * t448 * t255 + t236 * t285 * t505 + t181 * t190 * t635 + t181 * t72 * t119… in func_pol() 1453 …072 + t2075 / 0.6e1 + 0.2e1 / 0.3e1 * t347 * t2005 * t255 + t347 * t824 * t635 / 0.3e1 + t881 * t8… in func_pol()
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H A D | gga_c_regtpss.c | 3525 t635 = t258 * t258; in func_pol() 3628 t779 = t5 * t635; in func_pol() 3684 t872 = t871 * t635; in func_pol() 4123 t1679 = t635 * t258; in func_pol() 4554 t2446 = t122 * t635; in func_pol() 4573 t2482 = t886 * t635; in func_pol() 4783 t2899 = t397 * t635; in func_pol() 4978 t3356 = t635 * t153; in func_pol() 5358 t4343 = t378 * t635; in func_pol() 6432 t6640 = t635 * t635; in func_pol() [all …]
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H A D | gga_x_ft97.c | 60 double t635, t639, t642, t644, t648, t651, t659, t660; in func_unpol() local 374 t635 = t209 * t149 * t281; in func_unpol() 393 … 0.3e1 * t517 * t278 + t104 * t283 / 0.2e1 - t104 * t313 / 0.3e1 + t208 * t635 / 0.2e1 - t208 * t6… in func_unpol() 451 …2 * t602 / 0.3e1 + 0.16e2 / 0.9e1 * t1091 * t278 - 0.4e1 / 0.3e1 * t425 * t635 + 0.8e1 / 0.9e1 * t… in func_unpol() 461 ….4e1 / 0.9e1 * t619 * t124 - 0.2e1 / 0.3e1 * t268 * t313 + 0.2e1 * t517 * t635 - 0.4e1 / 0.9e1 * t… in func_unpol() 990 double t628, t629, t630, t633, t634, t635, t638, t640; in func_pol() local 1522 t635 = t179 * t634; in func_pol() 1526 …t644 = -0.24e2 * t168 * t68 * t70 - 0.48e2 * t176 * t263 - 0.48e2 * t635 * t497 + 0.48e2 * t641 * … in func_pol() 2077 …9 * t1711 + 0.144e3 * t1745 * t1215 - 0.144e3 * t1750 * t1224 - 0.192e3 * t635 * t1513 + 0.192e3 *… in func_pol() 2592 …917 * t2933 - 0.144e3 * t605 * t1913 + 0.288e3 * t641 * t3980 - 0.288e3 * t635 * t3952 + 0.864e3 *… in func_pol() [all …]
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H A D | gga_x_hjs_b88_v2.c | 8966 t1745 = t635 * t635; in func_pol() 8973 t1764 = t639 * t635; in func_pol() 9016 t1865 = t652 * t635; in func_pol() 9297 t2502 = t871 * t635; in func_pol() 9783 t3946 = t631 * t635; in func_pol() 9784 t3951 = t1237 * t635; in func_pol() 10735 t6869 = t1745 * t635; in func_pol() 10736 t6872 = t635 * t1758; in func_pol() 10929 t7443 = t1453 * t635; in func_pol() 10936 t7467 = t1780 * t635; in func_pol() [all …]
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H A D | gga_c_op_pw91.c | 744 double t613, t614, t615, t619, t629, t633, t635, t639; in func_pol() local 1947 t1719 = t262 * t635; in func_pol() 2329 t2786 = t792 * t635; in func_pol() 2353 t2867 = t351 * t635; in func_pol() 3248 t5851 = t635 * t635; in func_pol() 3709 t8720 = t200 * t635; in func_pol() 3825 t9638 = t580 * t907 * t635; in func_pol() 4450 t14098 = t3672 * t307 * t635; in func_pol() 4494 t14519 = t1098 * t635; in func_pol() 4526 t14650 = t580 * t1141 * t635; in func_pol() [all …]
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H A D | gga_c_scan_e0.c | 432 t635 = t216 * t184 * t634; in func_unpol() 1088 t635 = 0.1e1 / t634; in func_ferr() 1089 t636 = t39 * t635; in func_ferr() 1297 t1797 = t825 * t635; in func_ferr() 1313 t1870 = t1869 * t635; in func_ferr() 2316 t636 = t114 * t635; in func_pol() 2341 t678 = t635 * t101; in func_pol() 2938 t1699 = t635 * t50; in func_pol() 3707 t3326 = t635 * t1101; in func_pol() 3990 t3705 = t468 * t635; in func_pol() [all …]
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H A D | gga_x_optx.c | 495 double t628, t629, t631, t633, t635, t636, t637, t639; in func_pol() local 980 t635 = t294 * t633 * t296; in func_pol() 981 t636 = t635 / 0.9e1; in func_pol() 1354 t1538 = t635 / 0.3e1; in func_pol() 1388 …* t616 - 0.4e1 / 0.9e1 * t620 - 0.2e1 / 0.3e1 * t625 + 0.2e1 / 0.9e1 * t631 - 0.4e1 / 0.9e1 * t635; in func_pol()
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H A D | gga_k_apbe.c | 447 double t634, t635, t637, t639, t641, t650, t652, t654; in func_pol() local 1023 t635 = t246 * t634; in func_pol() 1029 …t654 = -t519 - 0.2e1 / 0.9e1 * t622 - t626 / 0.3e1 + 0.2e1 / 0.3e1 * t631 + 0.11e2 / 0.9e1 * t635 … in func_pol() 1478 …1 * t622 - 0.2e1 / 0.3e1 * t626 + 0.4e1 / 0.3e1 * t631 + 0.22e2 / 0.9e1 * t635 - 0.8e1 / 0.9e1 * t… in func_pol() 1508 …1 - t1443 - 0.2e1 / 0.3e1 * t622 - t626 + 0.2e1 * t631 + 0.11e2 / 0.3e1 * t635 - 0.8e1 / 0.3e1 * t… in func_pol()
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H A D | gga_x_c09x.c | 529 double t635, t637, t639, t641, t644, t646, t648, t650; in func_pol() local 1004 t635 = t44 * t634; in func_pol() 1005 t637 = t7 * t635 * t320; in func_pol() 1365 t1378 = t7 * t635 * t62; in func_pol() 1433 t1736 = t7 * t635 * t753; in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_pz.c | 360 double t622, t625, t627, t630, t633, t635, t637, t638; in func_pol() local 640 t635 = t73 * t73; in func_pol() 641 t637 = 0.1e1 / t235 / t635; in func_pol()
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H A D | lda_c_1d_csc.c | 494 double t553, t580, t597, t610, t635, t639, t645, t649; in func_pol() local 886 t635 = t228 * t228; in func_pol() 891 … 0.12e2 * t200 * t229 + 0.4e1 * t377 * t125 - 0.24e2 * t50 / t346 / t65 * t635 - 0.6e1 * t50 * t22… in func_pol()
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