| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_regtpss.c | 3989 t1482 = t1481 * t116; in func_pol()
3999 t1506 = t124 * t1481; in func_pol()
5515 t4616 = t101 * t1481; in func_pol()
5555 t4698 = t102 * t1481; in func_pol()
5731 t5117 = t1481 * t432; in func_pol()
5941 t5601 = t1481 * t452; in func_pol()
5950 t5620 = t458 * t1481; in func_pol()
8487 t15158 = t1481 * t740; in func_pol()
8494 t15185 = t308 * t1481; in func_pol()
8923 t16595 = t736 * t1481; in func_pol()
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| H A D | gga_x_am05.c | 98 double t1477, t1481, t1484, t1504, t1510, t1521, t1527, t1530; in func_unpol() local
693 t1481 = t341 * t608; in func_unpol()
695 …t1374 * t615 + 0.320e3 / 0.9e1 * t155 * t1374 * t1477 - 0.116e3 * t1386 * t1481 - 0.139e3 * t155 *… in func_unpol()
723 …* t204 * t619 - 0.225e3 / 0.16e2 * t212 * t616 + 0.87e2 / 0.2e1 * t1784 * t1481 - 0.135e3 / 0.2e1 … in func_unpol()
765 …* t1133 * t146 * t1416 - 0.15e2 / 0.8e1 * t1139 * t142 * t1477 + 0.783e3 / 0.128e3 * t2402 * t1481; in func_unpol()
1671 double t1479, t1481, t1482, t1483, t1485, t1488, t1491, t1492; in func_pol() local
2589 t1481 = t7 * t451 * t632; in func_pol()
2590 t1482 = t1481 / 0.3e1; in func_pol()
3284 …t3472 = -t1475 / 0.2e1 - t1478 - t1481 - 0.3e1 / 0.2e1 * t1485 + t1924 + 0.7e1 / 0.2e1 * t1494 - 0… in func_pol()
3358 …t3905 = -t1475 / 0.3e1 - 0.4e1 / 0.3e1 * t1478 - 0.4e1 / 0.3e1 * t1481 - t1485 + 0.2e1 / 0.3e1 * t… in func_pol()
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| H A D | gga_c_pbeloc.c | 3657 t1482 = t346 * t1481; in func_pol()
5104 t4485 = t1481 * t353; in func_pol()
5374 t5113 = t1481 * t420; in func_pol()
5628 t5681 = t1334 * t1481; in func_pol()
5674 t5752 = t1481 * t466; in func_pol()
5725 t5858 = t863 * t482 * t1481; in func_pol()
8315 t16314 = t2415 * t1481; in func_pol()
8992 t19878 = t345 * t1481; in func_pol()
9079 t20183 = t862 * t1481; in func_pol()
9116 t20362 = t1481 * t1481; in func_pol()
[all …]
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| H A D | gga_k_meyer.c | 84 double t1393, t1411, t1422, t1426, t1431, t1463, t1481, t1506; in func_unpol() local
574 t1481 = t414 / t8 / t416; in func_unpol()
576 …t1481 * t1037 / 0.23328e5 + 0.7e1 / 0.3888e4 * t177 * t317 * t179 + t176 * t1481 * t23 * t7 * t100… in func_unpol()
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| H A D | gga_c_zvpbeloc.c | 3758 t1481 = t333 * t1480; in func_pol()
3759 t1482 = t1481 * t370; in func_pol()
3851 t1623 = t1481 * t451; in func_pol()
4999 t4319 = t1481 * t901; in func_pol()
5006 t4328 = t1481 * t905; in func_pol()
5294 t4889 = t1481 * t1161; in func_pol()
5320 t4937 = t1481 * t1157; in func_pol()
5544 t5421 = t1481 * t1351; in func_pol()
5545 t5423 = t1481 * t1347; in func_pol()
7688 t14004 = t1481 * t2121; in func_pol()
[all …]
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| H A D | gga_c_lm.c | 807 double t1471, t1476, t1477, t1480, t1481, t1482, t1483, t1484; in func_pol() local
1756 t1481 = t265 * t501; in func_pol()
1757 t1482 = t264 * t1481; in func_pol()
2478 t3450 = t600 * t1481; in func_pol()
2750 t3969 = t679 * t1481; in func_pol()
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| H A D | gga_x_beefvdw.c | 872 double t1470, t1473, t1475, t1477, t1479, t1481, t1483, t1485; in func_ferr() local
1394 t1481 = t29 * t1451; in func_ferr()
1402 …1 * t1477 - 0.27783894071055594186e1 * t1479 - 0.36487893946858568009e2 * t1481 + 0.18325220975589… in func_ferr()
1521 …19 - 0.14595157578743427204e3 * t1479 * t119 + 0.91626104877947550505e3 * t1481 * t119 + 0.3612240… in func_ferr()
1543 …93 - 0.58380630314973708816e3 * t1479 * t193 + 0.36650441951179020202e4 * t1481 * t193 + 0.1444896… in func_ferr()
1669 double t1473, t1475, t1478, t1480, t1481, t1483, t1485, t1486; in func_pol() local
2546 t1481 = 0.1e1 / t895; in func_pol()
2547 t1483 = t1480 * t1481 * t899; in func_pol()
3289 t3756 = t586 * t1481 * t899; in func_pol()
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| H A D | gga_k_lc94.c | 973 double t1471, t1472, t1481, t1482, t1483, t1484, t1490, t1493; in func_pol() local
1818 t1481 = t361 / t24 / t843; in func_pol()
1819 t1482 = t850 * t1481; in func_pol()
2351 …1 * t137 * params->a * t411 / 0.2e1 - 0.378e3 * t1525 * t919 + 0.1620e4 * t1481 * t2896 * t1936 * … in func_pol()
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| H A D | gga_c_op_g96.c | 673 double t1470, t1471, t1474, t1481, t1482, t1483, t1484, t1487; in func_pol() local
1784 t1481 = t876 * t9; in func_pol()
1785 t1482 = t1481 * t167; in func_pol()
1937 t1833 = t1481 * t1832; in func_pol()
1999 t1973 = t1481 * t1972; in func_pol()
3422 …6 - 0.10634795106414080545e2 * t6717 * t6710 - 0.50641881459114669263e1 * t1481 * t6713 * t1836 - … in func_pol()
3648 …6 - 0.10634795106414080545e2 * t7196 * t8051 - 0.50641881459114669262e1 * t1481 * t8054 * t1976 + … in func_pol()
3858 t9665 = t1481 * t2788; in func_pol()
3933 t10036 = t1481 * t2499; in func_pol()
4094 … - 0.18131070428483266180e0 * t1849 * t10890 + 0.37981411094336001948e0 * t1481 * t10881 * t10885 … in func_pol()
[all …]
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| H A D | gga_x_pw91.c | 992 double t1454, t1457, t1462, t1466, t1471, t1475, t1478, t1481; in func_pol() local
1876 t1481 = t135 * t533; in func_pol()
1884 …t1508 = -0.65e2 / 0.648e3 * t133 * t1481 * t301 + 0.17e2 / 0.864e3 * t374 * t541 * t210 * t82 - t1… in func_pol()
2415 … t539 / t531 * t417 * t538 * t82 / 0.186624e6 - 0.19e2 / 0.162e3 * t133 * t1481 * t82 - t3684 + t3… in func_pol()
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| H A D | gga_c_wl.c | 444 double t1474, t1476, t1477, t1479, t1481, t1483, t1486, t1488; in func_pol() local
1504 t1481 = t1460 * t552; in func_pol()
1514 …t1505 = 0.3e1 / 0.2e1 * t1477 + 0.6e1 * t1479 + 0.9e1 / 0.8e1 * t1481 + 0.3e1 * t1483 - 0.31116296… in func_pol()
1594 …772 + 0.13335555555555555555e-1 * t1775 + 0.4e1 * t1479 + 0.3e1 / 0.4e1 * t1481 + 0.2e1 * t1483 - … in func_pol()
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| H A D | gga_x_sogga11.c | 85 double t1432, t1447, t1465, t1481, t1490, t1495, t1498, t1515; in func_unpol() local
585 t1481 = t1028 * t484 * t9 * t1344 * t479; in func_unpol()
588 …t1383 * t479 - 0.8e1 / 0.81e2 * t1191 * t1481 + 0.8e1 / 0.81e2 * t1198 * t1481 - 0.8e1 / 0.243e3 *… in func_unpol()
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| H A D | gga_x_airy.c | 1121 double t1457, t1460, t1463, t1468, t1472, t1477, t1481, t1484; in func_pol() local
2016 t1481 = t577 * t630 * t155; in func_pol()
2039 …v3rho2sigma[8] = -0.4e1 / 0.3e1 * t1450 - t1418 - t1460 - t203 * t1477 / 0.6e1 - t203 * t1481 - t2… in func_pol()
2524 t3583 = t1430 * t1481; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_2.c | 808 double t1470, t1474, t1481, t1487, t1488, t1489, t1491, t1492; in func_pol() local
1649 …t1481 = -t1107 - 0.12424800000000000000e1 * t1109 + 0.82832000000000000000e0 * t1114 - 0.966373333… in func_pol()
1650 …147 * t1469 * t1470 + 0.3e1 / 0.2e1 * t147 * t593 * t1474 - t147 * t150 * t1481 / 0.4e1) * t164 * … in func_pol()
1794 …353 - 0.14e2 / 0.27e2 * t184 * t1106 - 0.6e1 * t1789 * t1470 + 0.6e1 * t478 * t1474 - t187 * t1481; in func_pol()
2257 t3613 = 0.96902277115443742139e-3 * t191 * t1481; in func_pol()
2283 t3865 = t159 * t1481; in func_pol()
2293 … 0.3e1 * t456 * t155 * t450 * t491 + 0.2e1 / 0.3e1 * t456 * t155 * t142 * t1481 - 0.5e1 / 0.9e1 * … in func_pol()
2302 …147 * t142 * t1468 * t1470 - 0.2e1 * t147 * t1460 * t1474 + t147 * t589 * t1481 / 0.3e1 + 0.6e1 * … in func_pol()
2316 t4130 = 0.10363566666666666667e-1 * t167 * t168 * t1481; in func_pol()
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| H A D | lda_xc_bn05.c | 828 double t1440, t1444, t1457, t1458, t1462, t1466, t1470, t1481; in func_pol() local
1843 …t1481 = t764 - 0.8e1 / 0.27e2 * t1349 + 0.2e1 / 0.27e2 * t220 * t768 * t1435 - 0.2e1 / 0.9e1 * t22… in func_pol()
1844 t1482 = t1481 * t84; in func_pol()
2724 t3779 = t85 * t1481; in func_pol()
2739 t3814 = t305 * t1481; in func_pol()
2752 t3869 = t1481 * t298; in func_pol()
2942 t4388 = t1481 * t494; in func_pol()
3900 …2 / 0.81e2 * t48 * t8603 * t791 * t87 * t124 + 0.20e2 / 0.243e3 * t6052 + t1481 * t777 * t84 + t14… in func_pol()
3913 t8704 = t791 * t1481; in func_pol()
4321 t12434 = t1481 * t1481; in func_pol()
[all …]
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| H A D | lda_c_vwn_4.c | 819 double t1476, t1477, t1478, t1479, t1481, t1483, t1484, t1487; in func_pol() local
1704 t1481 = t209 * t696; in func_pol()
1714 …24e2 - t1470 / 0.24e2 - t1472 / 0.12e2 - t1476 - t1478 - t1479 / 0.24e2 - t1481 / 0.12e2 - t1488 /… in func_pol()
2156 …- t1633 - t1470 / 0.8e1 - t1472 / 0.4e1 - t3122 - t3123 - t1479 / 0.8e1 - t1481 / 0.4e1 - t1488 / … in func_pol()
2198 …0.12e2 - t1472 / 0.6e1 - t1475 / 0.3e1 - t1477 / 0.3e1 - t1479 / 0.12e2 - t1481 / 0.6e1 - t1488 / … in func_pol()
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| H A D | lda_c_vwn.c | 819 double t1478, t1479, t1480, t1481, t1482, t1484, t1486, t1487; in func_pol() local
1703 t1481 = t1480 / 0.12e2; in func_pol()
1719 …441 / 0.24e2 - t1443 / 0.24e2 - t1473 / 0.24e2 - t1475 / 0.12e2 - t1479 - t1481 - t1482 / 0.24e2 -… in func_pol()
1761 …t1587 = t910 - t912 - t1089 - t1441 / 0.12e2 - t1443 / 0.12e2 - t1479 - t1481 - t1494 - t1496 - 0.… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_ms.c | 109 double t1472, t1474, t1475, t1477, t1478, t1481, t1482, t1487; in func_unpol() local
920 t1481 = 0.1e1 / t382; in func_unpol()
921 t1482 = t1481 * t61; in func_unpol()
923 t1490 = t206 * t1481; in func_unpol()
931 t1514 = t57 * t1481; in func_unpol()
1268 t4318 = t588 * t1481; in func_unpol()
2274 t1481 = t63 * t1480; in func_ferr()
2563 t4318 = t197 * t1481; in func_ferr()
3976 t1481 = t211 * t9; in func_pol()
3977 t1483 = t505 * t1400 * t1481; in func_pol()
[all …]
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| H A D | mgga_x_mvsb.c | 3590 t1482 = t1481 * t443; in func_pol()
3765 t1828 = t1481 * t614; in func_pol()
4035 t2358 = t1481 * t869; in func_pol()
4144 t2555 = t1481 * t912; in func_pol()
5353 t4465 = t1481 * t1503; in func_pol()
5367 t4523 = t1481 * t1495; in func_pol()
5372 t4535 = t1481 * t1490; in func_pol()
5498 t5129 = t1481 * t1803; in func_pol()
5500 t5133 = t1481 * t1795; in func_pol()
5554 t5448 = t1481 * t1974; in func_pol()
[all …]
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| H A D | mgga_x_msb.c | 1566 double t1428, t1430, t1432, t1433, t1477, t1478, t1481, t1482; in func_ferr() local
2255 t1481 = t754 * t63; in func_ferr()
2515 …7 + 0.18e2 * t923 * t2522 * t121 + 0.18e2 * t923 * t2529 * t97 - 0.18e2 * t1481 * t2529 * t121 + 0… in func_ferr()
2628 … = 0.12e2 * t923 * t3631 * t121 - 0.12e2 * t1481 * t3639 * t121 + 0.12e2 * t923 * t3643 * t97 - 0.… in func_ferr()
2704 …t4612 = 0.18e2 * t923 * t4573 * t97 - 0.18e2 * t1481 * t4573 * t121 + 0.9e1 / 0.32e2 * t2070 * t63… in func_ferr()
2718 …2 * t1481 * t4725 * t121 + 0.3e1 / 0.32e2 * t327 * t452 * t240 * t39 - 0.18e2 * t2506 * t4736 * t9… in func_ferr()
2755 …t1481 * t5179 + 0.24e2 * t121 * t3736 * t5169 + 0.12e2 * t121 * t5148 * t923 + 0.12e2 * t121 * t51… in func_ferr()
2758 …t5229 = -0.6e1 * t1481 * t5186 * t121 + 0.3e1 / 0.2e1 * t336 * t1778 + 0.3e1 / 0.2e1 * t140 * t478… in func_ferr()
2810 …t5709 = -0.18e2 * t1156 * t5680 * t97 - 0.18e2 * t1156 * t5687 * t97 - 0.18e2 * t121 * t1481 * t56… in func_ferr()
2832 …23 * t4757 * t148 + 0.9e1 / 0.32e2 * t322 * t2833 * t267 * t32 - 0.18e2 * t1481 * t4779 * t148 + 0… in func_ferr()
[all …]
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| H A D | mgga_c_revtpss.c | 4648 double t1477, t1480, t1481, t1483, t1485, t1488, t1490, t1491; in func_pol() local
10164 t1481 = t7 * t1480; in func_pol()
10169 vsigma[1] = t1016 * t1488 + t1481 * t395; in func_pol()
11930 v2rhosigma[1] = t1014 * t1488 + t1016 * t5408 + t1481 * t1022 + t5391 * t395 + t5246 + t5394; in func_pol()
12136 v2rhosigma[4] = t1016 * t5901 + t1330 * t1488 + t1481 * t1337 + t5885 * t395 + t5246 + t5394; in func_pol()
12447 v2sigma2[1] = t1016 * t6514 + t1430 * t1488 + t1481 * t1437 + t6501 * t395; in func_pol()
12508 v2sigma2[3] = t1016 * t6635 + 0.2e1 * t1481 * t1488 + t6624 * t395; in func_pol()
12522 v2sigma2[4] = t1016 * t6669 + t1481 * t1540 + t1536 * t1488 + t6661 * t395; in func_pol()
12653 v2sigmatau[2] = t1016 * t6879 + t1481 * t1561 + t1554 * t1488 + t6863 * t395; in func_pol()
12669 v2sigmatau[3] = t1016 * t6922 + t1481 * t1582 + t1575 * t1488 + t6906 * t395; in func_pol()
[all …]
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| H A D | mgga_c_m08.c | 5697 t1481 = t188 * t11; in func_pol()
6242 t3114 = t1481 * t16; in func_pol()
6276 t3364 = t1481 * t31; in func_pol()
8171 t10436 = t1481 * t284; in func_pol()
8248 t11193 = t1481 * t297; in func_pol()
8504 t13786 = t1481 * t627; in func_pol()
8967 t15820 = t1481 * t4097; in func_pol()
9068 t16361 = t1481 * t968; in func_pol()
9152 t16957 = t1481 * t4447; in func_pol()
9224 t17851 = t1481 * t620; in func_pol()
[all …]
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| H A D | mgga_c_m06l.c | 1171 t1481 = t354 * t635; in func_unpol()
1172 t1482 = t482 * t1481; in func_unpol()
1889 t3016 = t796 * t1481; in func_unpol()
2132 t3545 = t1316 * t1481; in func_unpol()
2253 t3780 = t1469 * t1481; in func_unpol()
4203 t1481 = t31 * t613; in func_ferr()
4204 t1482 = t1481 * t154; in func_ferr()
8072 t1481 = t1480 * t142; in func_pol()
8394 t2037 = t1481 * t200; in func_pol()
11413 t7403 = t1481 * t939; in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 104 double t1468, t1470, t1471, t1473, t1475, t1479, t1481, t1483; in func_unpol() local
857 …t1481 = 0.16642324845840582988e-1 * t1468 - 0.21105439711305777186e-1 * t1471 + 0.7545898211448858… in func_unpol()
870 …t1512 = t1481 * t49 + 0.5e1 / 0.72e2 * t1484 - 0.10e2 / 0.9e1 * t1424 * t198 - 0.25e2 / 0.162e3 * … in func_unpol()
1149 t3210 = t1481 * t102; in func_unpol()
1350 double t1478, t1481, t1484, t1485, t1499, t1500, t1506, t1513; in func_ferr() local
2078 t1481 = t351 * t593; in func_ferr()
2094 …t1481 * t85 + 0.11483455676628332496e0 * t812 * t1561 * t30 * t216 + 0.34711892100090877548e-1 * t… in func_ferr()
2095 …t1481 + 0.1250e4 / 0.2187e4 * t1485 * t1471 * t1473 + 0.25e2 / 0.27e2 * t256 * t1478 + 0.100e3 / 0… in func_ferr()
2120 …1358024691358024694e-1 * t764 * t599 - 0.11419753086419753087e-1 * t350 * t1481 - 0.46897119341563… in func_ferr()
2165 …t2084 = 0.91358024691358024691e-1 * t420 * t1481 + 0.20301783264746227709e1 * t890 * t667 * t1742 … in func_ferr()
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| H A D | mgga_x_2d_prhg07.c | 111 double t1474, t1475, t1476, t1481, t1487, t1491, t1492, t1493; in func_unpol() local
1011 t1481 = t46 * t1464; in func_unpol()
1075 t1808 = t1481 * t298; in func_unpol()
1195 t2530 = t1481 * t85; in func_unpol()
1399 t3840 = t1481 * t44; in func_unpol()
1862 t5748 = t1481 * t1048; in func_unpol()
1922 t5922 = t1481 * t199; in func_unpol()
2028 t6225 = t1481 * t54; in func_unpol()
2283 double t1454, t1468, t1475, t1480, t1481, t1485, t1488, t1492; in func_ferr() local
3065 t1481 = t386 * t1480; in func_ferr()
[all …]
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