| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 1078 t1410 = t237*t561
1079 t1411 = t84*t1410
1141 t1547 = t897*t1410
1295 t1822 = t172*t1410
1907 t3933 = t451*t1410
2034 *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
3854 t1410 = t237*t561
3855 t1411 = t84*t1410
3917 t1547 = t897*t1410
4071 t1822 = t172*t1410
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 1078 t1410 = t237*t561
1079 t1411 = t84*t1410
1141 t1547 = t897*t1410
1295 t1822 = t172*t1410
1907 t3933 = t451*t1410
2034 *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
3854 t1410 = t237*t561
3855 t1411 = t84*t1410
3917 t1547 = t897*t1410
4071 t1822 = t172*t1410
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_zvpbeloc.c | 794 t1410 = t1409 * t216; in func_unpol()
3702 t1410 = t473 * t1409; in func_pol()
3707 t1415 = t1410 * t1414; in func_pol()
3771 t1501 = t1410 * t1500; in func_pol()
3834 t1596 = t1410 * t1595; in func_pol()
3858 t1637 = t1410 * t1636; in func_pol()
5097 t4454 = t1410 * t4453; in func_pol()
5100 t4458 = t1410 * t4457; in func_pol()
5128 t4499 = t1410 * t4498; in func_pol()
5131 t4503 = t1410 * t4502; in func_pol()
[all …]
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| H A D | gga_xc_th3.c | 1267 t1410 = t138 * t1409; in func_pol()
1268 t1412 = 0.24e2 * t146 * t1410; in func_pol()
1271 t1416 = 0.24e2 * t149 * t1410; in func_pol()
1785 t3235 = t278 * t1410; in func_pol()
1806 t3279 = t269 * t1410; in func_pol()
1813 t3292 = t272 * t1410; in func_pol()
1819 t3304 = t275 * t1410; in func_pol()
1829 t3317 = t368 * t1410; in func_pol()
1832 t3321 = t371 * t1410; in func_pol()
1835 t3325 = t374 * t1410; in func_pol()
[all …]
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| H A D | hyb_gga_xc_wb97.c | 3748 t1410 = -t1354; in func_pol()
3749 t1411 = t449 * t1410; in func_pol()
3878 t1675 = t434 * t1410; in func_pol()
3935 t1758 = t450 * t1410; in func_pol()
3948 t1806 = t469 * t1410; in func_pol()
3970 t1859 = t495 * t1410; in func_pol()
3981 t1885 = t1410 * t216; in func_pol()
5070 t4437 = t123 * t1410; in func_pol()
5079 t4448 = t1410 * t663; in func_pol()
5256 t4859 = t4858 * t1410; in func_pol()
[all …]
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| H A D | gga_x_lspbe.c | 596 double t1399, t1401, t1407, t1410, t1425, t1426, t1427, t1429; in func_pol() local
1412 t1410 = t7 * t577 * t153; in func_pol()
1421 …3e1 / 0.2e1 * t7 * t298 * t112 - 0.5e1 / 0.2e1 * t1407 - 0.5e1 / 0.36e2 * t1410 - t283 * t16 * t25… in func_pol()
1462 … t153 + t1617 / 0.12e2 - t1401 / 0.3e1 + t1407 / 0.3e1 - 0.5e1 / 0.18e2 * t1410 - t306 * t307 * t3… in func_pol()
1503 …t2001 = -0.5e1 / 0.12e2 * t1410 + t1649 / 0.3e1 + t1667 / 0.9e1 - t1670 / 0.3e1 - t1678 / 0.6e1 + … in func_pol()
1528 … * t2151 * t18 * t2188) - t1982 / 0.2e1 + t1617 / 0.2e1 - 0.5e1 / 0.9e1 * t1410 - 0.20e2 / 0.27e2 … in func_pol()
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| H A D | gga_x_pbepow.c | 684 double t1394, t1396, t1398, t1406, t1410, t1413, t1417, t1421; in func_pol() local
1544 t1410 = 0.10e2 / 0.27e2 * t7 * t47 * t786 * t66; in func_pol()
1572 …t1549 = -t7 * t122 * t66 * t1398 / 0.2e1 + t1406 + t1410 - 0.3e1 / 0.8e1 * t7 * t17 * t1486 - t149… in func_pol()
1635 …t1809 = t1406 + t1410 - t1491 / 0.8e1 - 0.5e1 / 0.12e2 * t1494 + t1497 / 0.4e1 + t732 * t756 * t73… in func_pol()
1674 …t2108 = -t1757 / 0.3e1 - 0.5e1 / 0.18e2 * t1763 + t1766 / 0.3e1 + t1406 + t1410 - 0.5e1 / 0.18e2 *… in func_pol()
1696 … 0.3e1 - 0.5e1 / 0.9e1 * t1733 + t1744 - 0.5e1 / 0.12e2 * t1763 + t1406 + t1410 - 0.5e1 / 0.36e2 *… in func_pol()
1719 … t2066 - 0.20e2 / 0.27e2 * t1722 - 0.20e2 / 0.27e2 * t1733 - 0.5e1 / 0.9e1 * t1763 + t1406 + t1410; in func_pol()
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| H A D | gga_x_lcgau.c | 74 double t1410, t1418, t1444, t1453, t1455, t1463, t1467, t1470; in func_unpol() local
483 …t1410 = t284 * t285 * t1064 / 0.9e1 + t284 * t1179 * t213 / 0.9e1 - 0.2e1 / 0.27e2 * t87 * t88 * t… in func_unpol()
485 …643 * t121 * t645 * t5 * t1054 - t284 * t990 * t435 / 0.27e2 + t284 * t964 * t435 / 0.9e1 + t1410); in func_unpol()
1097 double t1374, t1379, t1391, t1397, t1410, t1424, t1426, t1467; in func_pol() local
1723 t1410 = t1186 * M_PI; in func_pol()
1724 …t1424 = -0.2e1 * t358 * t1410 * t24 * t1150 + 0.4e1 / 0.3e1 * t358 * t361 * t47 * t314 + t358 * t3… in func_pol()
1956 …6e1 + t325 * t350 * t2952 / 0.12e2 + t42 * t48 * (-0.5e1 / 0.2e1 * t358 * t1410 * t24 * t2942 * t6… in func_pol()
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| H A D | gga_x_pbea.c | 451 double t1400, t1407, t1410, t1413, t1415, t1420, t1424, t1426; in func_pol() local
1335 t1410 = 0.1e1 / t62 / t397; in func_pol()
1336 t1413 = t7 * t14 * t1410 * t222; in func_pol()
1339 t1424 = t7 * t33 * t1410 * t239; in func_pol()
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| H A D | gga_k_exp4.c | 522 double t1393, t1395, t1403, t1410, t1411, t1413, t1420, t1423; in func_pol() local
1276 t1410 = t181 * t511 * t262; in func_pol()
1277 t1411 = 0.2e1 / 0.9e1 * t1410; in func_pol()
1323 …t1390 - 0.8e1 / 0.9e1 * t1393 - 0.4e1 / 0.27e2 * t1403 - 0.8e1 / 0.27e2 * t1410 + 0.8e1 / 0.9e1 * … in func_pol()
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| H A D | gga_x_pbe.c | 511 double t1383, t1384, t1385, t1397, t1410, t1417, t1418, t1421; in func_pol() local
1422 t1410 = t7 * t479 * t82; in func_pol()
1425 …88 * t24 * t530 * t109 - 0.11e2 / 0.18e2 * t601 * t88 * t24 * t213 * t8 - t1410 * t124 * t46 * t12… in func_pol()
1535 …9 - 0.44e2 / 0.81e2 * t282 * t326 * t328 * t870 * t114 - 0.4e1 / 0.81e2 * t1410 * t124 * t46 * t12… in func_pol()
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| H A D | gga_c_p86.c | 919 double t1404, t1407, t1408, t1409, t1410, t1411, t1413, t1415; in func_pol() local
2015 t1410 = 0.12e2 * t707; in func_pol()
2141 …t1861 = t1409 + t1410 + t1411 - 0.6e1 * t715 + t1413 - 0.6e1 * t751 + t1415 - 0.6e1 * t759 - 0.12e… in func_pol()
2149 …35e2 * t661 + t1402 - t1403 - t1404 + 0.21e2 * t671 + 0.7e1 * t673 + t1407 + t1409 + t1410 + t1411; in func_pol()
2284 …661 + t1402 - t1403 - t1404 + 0.14e2 * t671 + 0.7e1 / 0.3e1 * t673 + t1407 + t1409 + t1410 + t1411; in func_pol()
2291 ….35e2 * t886 - t1396 + t1398 - t662 + t1402 - t1403 - t1404 + t672 + t1407 + t1409 + t1410 + t1411; in func_pol()
2336 …t2869 = t1407 + t1409 + t1410 + t1411 + t1413 + t7 * (t2816 + t2820 + t2835 + t2855) + 0.9e1 * t11… in func_pol()
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| H A D | gga_c_chachiyo.c | 768 double t1410, t1411, t1415, t1418, t1419, t1428, t1465, t1469; in func_pol() local
1571 t1410 = 0.35e2 / 0.36e2 * t1409; in func_pol()
1572 … * t1133 + 0.7e1 / 0.8e1 * t1396 - 0.7e1 / 0.12e2 * t1399 - 0.7e1 / 0.24e2 * t1401 - t1407 + t1410; in func_pol()
1640 ….12e2 * t1598 - 0.7e1 / 0.24e2 * t1601 - 0.7e1 / 0.24e2 * t1847 - t1407 + t1410 + 0.7e1 / 0.24e2 *… in func_pol()
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| H A D | gga_x_hcth_a.c | 669 double t1372, t1374, t1378, t1383, t1408, t1410, t1413, t1416; in func_pol() local
1460 t1410 = 0.1e1 / t1408 * t1053; in func_pol()
1461 …13 * t155 * t167 + 0.42000000000000000000e-1 * t548 - 0.25200000000000000000e-1 * t1410 * sigma[2]; in func_pol()
1910 …4200000000000000000e-2 * t613 * t547 * t443 - 0.88200000000000000000e-1 * t1410 + 0.63000000000000… in func_pol()
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| H A D | gga_x_ak13.c | 777 double t1410, t1414, t1418, t1421, t1422, t1425, t1426, t1427; in func_pol() local
1606 t1410 = t117 * t547 * t30; in func_pol()
1609 …4e4 + t39 * t1385 * t41 / 0.32e2 - t116 * t1390 * t118 / 0.64e2 + t1408 * t1410 / 0.2304e4 + t1408… in func_pol()
2015 …t118 / 0.48e2 - t3169 * t1309 / 0.96e2 - t3169 * t1312 / 0.96e2 - t3175 * t1410 / 0.432e3 + t3179 … in func_pol()
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| H A D | gga_x_dk87.c | 763 double t1386, t1390, t1403, t1405, t1409, t1410, t1414, t1419; in func_pol() local
1598 t1410 = t1409 * t76; in func_pol()
1604 …0.2187e4 * t28 * t1403 * t71 * t1405 - 0.7e1 / 0.34992e5 * t114 * t1390 * t1410 + 0.7e1 / 0.5832e4… in func_pol()
2001 …1e4 / 0.26244e5 * t114 * t1286 * t619 + 0.7e1 / 0.3888e4 * t114 * t3188 * t1410 - 0.301e3 / 0.1749… in func_pol()
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| H A D | gga_k_llp.c | 708 double t1404, t1405, t1409, t1410, t1418, t1419, t1423, t1428; in func_pol() local
1479 t1410 = t185 * t1409; in func_pol()
1481 v3sigma3[0] = 0.3e1 / 0.10e2 * t184 * t1410; in func_pol()
1853 t3224 = t1134 * t1410; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_pw.c | 571 double t1399, t1403, t1407, t1410, t1411, t1414, t1418, t1419; in func_pol() local
1407 t1410 = t298 * t143 * t850 * t853; in func_pol()
1408 … t1383 + t1386 - t1388 - t1390 + 0.120e3 * t1391 - 0.192e3 * t1393 - t1399 + t1403 - t1407 + t1410; in func_pol()
1480 … 0.3e1 + 0.2e1 * t433 * t892 * t941 + t433 * t143 * t945 * t948 + t1407 - t1410 - t1414 - 0.2e1 * … in func_pol()
1572 …t2106 = t2047 + t54 * t2099 * t132 + 0.60e2 * t1391 - t1399 + t1403 - t1407 + t1410 + t1414 - t141… in func_pol()
1637 … - 0.8e1 * t2039 + 0.2e1 * t2042 + 0.20e2 * t1391 + 0.32e2 * t1393 - t1399 + t1403 - t1407 + t1410; in func_pol()
1676 …t2512 = -t1407 + t1410 + t1414 - t1418 - 0.3e1 / 0.2e1 * t1419 + t1424 - t1429 - t2104 + t1436 - 0… in func_pol()
1692 …54 + t1375 + t1380 + t1383 + t1386 + t1388 + t1390 + 0.4e1 * t2501 - t1399 + t1403 - t1407 + t1410; in func_pol()
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| H A D | lda_c_2d_amgb.c | 671 double t1408, t1409, t1410, t1411, t1412, t1413, t1414, t1415; in func_pol() local
1434 t1410 = 0.480e3 * t1079; in func_pol()
1443 …t1421 = t1409 + t1410 - t1083 + t1411 - t1412 + t1093 - t1413 + t1414 - t1099 - t1415 + t1103 - t1… in func_pol()
1486 …t1649 = -t1063 - t1406 + t1068 + t1407 + t1075 - t1409 - t1410 - t1083 - t1411 + t1412 + t1093 + t… in func_pol()
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| H A D | lda_c_vwn_1.c | 782 double t1394, t1400, t1405, t1407, t1410, t1412, t1413, t1419; in func_pol() local
1321 t1410 = t40 * t40; in func_pol()
1322 t1412 = 0.1e1 / t326 / t1410; in func_pol()
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| H A D | lda_c_vwn_rpa.c | 782 double t1394, t1400, t1405, t1407, t1410, t1412, t1413, t1419; in func_pol() local
1321 t1410 = t40 * t40; in func_pol()
1322 t1412 = 0.1e1 / t326 / t1410; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_tpss.c | 3472 double t1393, t1394, t1396, t1399, t1407, t1408, t1410, t1413; in func_pol() local
4572 t1410 = t30 * t620; in func_pol()
4577 …t1426 = (t30 * t1399 * t41 + t30 * t1408 + t1410 * t765 / 0.16e2 + t763 * t1413 / 0.16e2 + 0.3e1 /… in func_pol()
4741 …t1773 = (t30 * t1751 + t30 * t1759 - t1410 * t1157 / 0.16e2 + t1153 * t1413 / 0.16e2 - 0.3e1 / 0.5… in func_pol()
4831 …t1929 = (t30 * t1905 + t30 * t1914 * t41 + t1410 * t1413 / 0.8e1 + 0.3e1 / 0.512e3 * t770 * t1922 … in func_pol()
6273 …t3850 * t5176 / 0.8e1 - t4240 * t1157 / 0.8e1 + 0.3e1 / 0.512e3 * t1410 * t3869 - t1410 * t1612 / … in func_pol()
6444 …t4227 * t1413 / 0.8e1 + t4240 * t1413 / 0.8e1 - 0.3e1 / 0.256e3 * t1410 * t4260 + t1410 * t4270 / … in func_pol()
6584 …t41 + 0.3e1 / 0.16e2 * t4689 * t1413 + 0.9e1 / 0.512e3 * t1410 * t4701 - 0.9e1 / 0.16e2 * t1410 * … in func_pol()
7555 …4240 * t2087 + t3387 * t2961 / 0.4e1 + 0.21e2 / 0.512e3 * t1410 * t7748 - 0.3e1 / 0.8e1 * t1410 * … in func_pol()
8109 …t1410 * t10049 - t763 * t13777 / 0.16e2 + 0.3e1 / 0.512e3 * t3844 * t3399 + 0.3e1 / 0.512e3 * t385… in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 2478 double t1400, t1402, t1403, t1404, t1406, t1408, t1410, t1412; in func_pol() local
3693 t1410 = t17 * t540; in func_pol()
3694 t1412 = t123 * t1410 * t130; in func_pol()
3742 t1482 = t194 * t1410 * t198; in func_pol()
3835 t1691 = t123 * t1410 * t218; in func_pol()
4125 t2247 = t194 * t1410 * t317; in func_pol()
5459 …t1410 * t426 - t424 * t124 * t68 * t4204 / 0.2e1 - 0.20e2 / 0.27e2 * t4210 - 0.5e1 / 0.27e2 * t421… in func_pol()
5508 …t1410 * t559 - 0.22001915123221333333e-4 * t4470 - 0.17875218321177841476e-6 * t194 * t434 * t1493… in func_pol()
5652 …0.27e2 - t424 * t5335 * t65 * t68 * t5337 / 0.3e1 - t424 * t1410 * t647 / 0.6e1 - t123 * t1410 * t… in func_pol()
5767 …t1410 * t868 - 0.20310980000000000001e-2 * t6212 + 0.10155490000000000000e-2 * t6215 + 0.412535908… in func_pol()
[all …]
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| H A D | mgga_x_mvsb.c | 94 double t1410, t1412, t1418, t1422, t1428, t1429, t1432, t1437; in func_unpol() local
742 …t1410 = 0.15e2 / 0.128e3 * t334 * t1390 - 0.3e1 / 0.32e2 * t334 * t1393 - 0.45e2 / 0.64e2 * t36 * … in func_unpol()
743 t1412 = t78 * t1410 * t69; in func_unpol()
997 t3100 = t129 * t1410; in func_unpol()
2329 double t1410, t1415, t1418, t1421, t1422, t1425, t1427; in func_pol() local
3539 t1410 = 0.2e1 * t101 * t1386 * params->e1 - 0.8e1 * t1404 * t256 + 0.6e1 * t1407 * t99; in func_pol()
3542 …t1421 = 0.2e1 * t103 * t1410 + 0.20e2 * t106 * t1418 + 0.12e2 * t1407 * t749 - 0.32e2 * t1415 * t2… in func_pol()
5230 t4246 = t1130 * t1410; in func_pol()
5325 …t4369 = 0.2e1 * t103 * t4356 - 0.120e3 * t106 * t4366 + 0.6e1 * t1410 * t397 + 0.24e2 * t2233 * t4… in func_pol()
7027 …3 * t4246 / 0.2e1 - 0.5e1 / 0.3e1 * t731 * t120 * t1410 * tau[1] + 0.4e1 / 0.3e1 * t256 * t3144 * … in func_pol()
[all …]
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| H A D | mgga_xc_zlp.c | 778 double t1388, t1393, t1397, t1398, t1402, t1406, t1408, t1410; in func_pol() local
1973 t1410 = t293 * t613; in func_pol()
1977 …* t1406 - 0.11972722222222222222e-1 * t1408 - 0.44897708333333333333e-2 * t1410 - t1303 + t1325 + … in func_pol()
2006 …* t1406 - 0.23945444444444444444e-1 * t1408 - 0.89795416666666666666e-2 * t1410 + 0.15963629629629… in func_pol()
2015 …* t1406 - 0.35918166666666666666e-1 * t1408 - 0.13469312500000000000e-1 * t1410 + 0.47890888888888… in func_pol()
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