| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_hjs.c | 652 t799 = t164 * t798; in func_unpol()
1017 t1943 = t363 * t798; in func_unpol()
1139 t2445 = t572 * t798; in func_unpol()
6318 t798 = t19 * t288; in func_pol()
6324 t808 = t798 * t799 * t806; in func_pol()
6456 t1096 = t798 * t799 * t1094; in func_pol()
6578 t1456 = t798 * t799 * t1436; in func_pol()
6864 t2099 = t798 * t2097 * t806; in func_pol()
6875 t2121 = t798 * t799 * t2119; in func_pol()
7138 t2776 = t798 * t799 * t2712; in func_pol()
[all …]
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| H A D | gga_x_b88.c | 683 double t788, t790, t792, t793, t795, t797, t798, t799; in func_pol() local
1232 t798 = t4 * t797; in func_pol()
1234 t801 = t798 * t329 * t799; in func_pol()
1283 t900 = t798 * t329 * t898; in func_pol()
1654 t1857 = t798 * t803 * t799; in func_pol()
1665 …t798 * t807 * t8 * t229 / 0.3e1 + t1866 + 0.7e1 / 0.6e1 * t1869 - t1872 / 0.6e1 - t328 * t1874 * t… in func_pol()
1674 …/ 0.2e1 - t1750 / 0.6e1 - 0.5e1 / 0.9e1 * t1761 - 0.5e1 / 0.9e1 * t1764 + t798 * t329 * t330 * t24… in func_pol()
1687 t2027 = t798 * t803 * t898; in func_pol()
1698 … + 0.2e1 / 0.27e2 * t2027 + t798 * t329 * t382 * t229 / 0.9e1 - t2034 / 0.9e1 + 0.7e1 / 0.9e1 * t2… in func_pol()
1707 …+ 0.2e1 / 0.9e1 * t798 * t822 * t898 - t328 * t822 * t902 / 0.3e1 - 0.2e1 / 0.3e1 * t328 * t1874 *… in func_pol()
[all …]
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| H A D | gga_x_2d_b86_mgc.c | 447 double t787, t790, t791, t795, t797, t798, t799, t802; in func_pol() local
1029 t798 = t139 * t96; in func_pol()
1030 t799 = t798 * t82; in func_pol()
1361 … t120 * t1952 * t199 - 0.4e1 * t120 * t807 * t206 + t1936 * t798 * t199 - 0.2e1 * t797 * t798 * t2… in func_pol()
1378 …7 * t139 * t275 * t82 - 0.4e1 * t797 * t349 * t96 * t82 + 0.4e1 * t1198 * t798 * t3 - 0.4e1 * t120… in func_pol()
1387 … t33 * t1726) - 0.36e2 * t2001 - 0.18e2 * t2010 + t120 * t1884 * t698 - 0.6e1 * t797 * t798 * t275; in func_pol()
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| H A D | gga_x_lg93.c | 896 double t786, t798, t799, t802, t803, t805, t807, t808; in func_pol() local
1667 …t798 = 0.10343750000000000000e0 * t786 + 0.59930344844598630710e-3 * sigma[0] * t46 + 0.2629991319… in func_pol()
1668 t799 = t80 * t798; in func_pol()
2559 t2146 = t202 * t798; in func_pol()
2732 t2331 = t305 * t798; in func_pol()
2737 t2339 = t680 * t798; in func_pol()
3390 t6321 = t438 * t798 * t32; in func_pol()
3444 t6573 = t798 * t225; in func_pol()
3534 t7205 = t304 * t798; in func_pol()
3613 t7515 = t798 * t798; in func_pol()
[all …]
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| H A D | gga_xc_th2.c | 433 double t795, t797, t798, t805, t816, t817, t820, t821; in func_pol() local
933 t798 = 0.1e1 / t797; in func_pol()
946 …t850 = t600 + 0.61283354166666666667e-1 * t795 - 0.53516649305555555554e-1 * t798 * t60 + 0.551148… in func_pol()
1272 …2 - 0.90663500000000000000e-1 * t39 * t1776 - 0.53516649305555555554e-1 * t798 * t233 + 0.34486333… in func_pol()
1333 …15 - 0.90663500000000000000e-1 * t39 * t2005 - 0.16054994791666666666e0 * t798 * t285 + 0.16534462… in func_pol()
1471 t2702 = t798 * t348; in func_pol()
1862 …69 - 0.11004980555555555556e0 * t805 * t512 - 0.53516649305555555554e-1 * t798 * t569 - 0.54764493… in func_pol()
1938 …204 - 0.12843995833333333333e0 * t33 * t2005 - 0.16054994791666666666e0 * t798 * t666 + 0.16534462… in func_pol()
1971 …877 + 0.49047000000000000000e0 * t760 * t839 - 0.32109989583333333332e0 * t798 * t839 - 0.32858695… in func_pol()
2226 …v4rho2sigma2[12] = 0.13379162326388888889e-1 * t798 * t1183 * t350 + 0.85626638888888888889e-1 * t… in func_pol()
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| H A D | gga_c_am05.c | 841 double t790, t791, t793, t794, t796, t798, t799, t802; in func_pol() local
1415 t798 = 0.1e1 / t350 / t43; in func_pol()
1424 …t822 = (-0.8e1 / 0.27e2 * t798 * t799 + 0.4e1 / 0.3e1 * t802 * t359 + 0.4e1 / 0.3e1 * t44 * t807 -… in func_pol()
1576 t1159 = t798 * t248; in func_pol()
1613 t1262 = t798 * t602; in func_pol()
1646 …t1377 = (-0.8e1 / 0.27e2 * t798 * t1359 + 0.4e1 / 0.3e1 * t551 * t606 + 0.4e1 / 0.3e1 * t44 * t136… in func_pol()
1962 …t2162 = (0.40e2 / 0.81e2 * t2127 * t2128 - 0.16e2 / 0.9e1 * t798 * t352 * t359 + 0.4e1 / 0.3e1 * t… in func_pol()
2032 …27 * t248 * t799 - 0.8e1 / 0.9e1 * t1159 * t167 * t359 - 0.16e2 / 0.9e1 * t798 * t34 * t356 * t352… in func_pol()
2122 …2 / 0.9e1 * t551 * t356 - 0.16e2 / 0.3e1 * t551 * t805 - 0.8e1 / 0.27e2 * t798 * t606 * t352 + 0.8… in func_pol()
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| H A D | gga_x_chachiyo.c | 67 double t798, t802, t805, t807, t815, t819, t822, t827; in func_unpol() local
420 t798 = t8 * t656; in func_unpol()
1180 double t790, t791, t792, t793, t794, t796, t797, t798; in func_pol() local
2207 t798 = t797 * t38; in func_pol()
2208 t799 = t798 * t120; in func_pol()
3524 t2619 = t648 * t798 * t97; in func_pol()
3657 t2772 = t147 * t798 * t672; in func_pol()
3745 t2854 = t648 * t798 * t165; in func_pol()
3752 t2862 = t147 * t798 * t722; in func_pol()
5266 …t798 * t2233 / 0.72e2 + 0.2e1 / 0.81e2 * t1027 * t398 * t2645 * t2250 - t4331 * t398 * t803 * t700… in func_pol()
[all …]
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| H A D | gga_c_chachiyo.c | 741 double t798, t799, t801, t803, t804, t806, t807, t810; in func_pol() local
1269 …t798 = -0.6e1 * t482 * t786 + 0.6e1 * t219 * t136 * t318 - 0.7e1 / 0.24e2 * t719 - t108 * t793 + 0… in func_pol()
1270 t799 = t66 * t798; in func_pol()
1625 …t1728 = t105 * t123 * t798 + 0.3e1 * t105 * t139 * t734 + 0.3e1 * t105 * t294 * t333 + 0.3e1 * t13… in func_pol()
1645 t1869 = t149 * t798; in func_pol()
1663 …v4rho4[4] = 0.4e1 * t105 * t139 * t798 + t105 * t66 * t1966 + t105 * t66 * t1982 + 0.3e1 * t105 * … in func_pol()
1759 t2178 = t143 * t798 * t343; in func_pol()
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| H A D | gga_x_g96.c | 417 double t795, t798, t799, t800, t801, t804, t810, t812; in func_pol() local
1082 t798 = t84 * t120 / 0.411e3; in func_pol()
1088 v3rho2sigma[2] = -0.8e1 / 0.411e3 * t795 - t798 - t800 * t801 / 0.411e3 - t306 * t804 / 0.137e3; in func_pol()
1112 …v3rho2sigma[5] = -0.4e1 / 0.411e3 * t795 - t798 - 0.4e1 / 0.411e3 * t826 - t800 * t828 / 0.411e3 +… in func_pol()
1132 …v3rho2sigma[8] = -0.8e1 / 0.411e3 * t826 - t798 + 0.4e1 / 0.411e3 * t835 + 0.8e1 / 0.411e3 * t840 … in func_pol()
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| H A D | gga_x_pbeint.c | 715 double t793, t794, t796, t798, t799, t801, t802, t803; in func_pol() local
1298 t798 = -t790; in func_pol()
1299 t799 = t83 * t798; in func_pol()
1730 …348 * t357 - 0.2e1 / 0.3e1 * t1649 - 0.2e1 / 0.3e1 * t392 * t393 * t149 * t798 - 0.2e1 / 0.3e1 * t… in func_pol()
1804 …161 * t790 / 0.6e1 + t1944 + 0.7e1 / 0.6e1 * t1947 - t392 * t393 * t166 * t798 / 0.6e1 + t392 * t8… in func_pol()
1820 … t2026 / 0.2e1 - t274 * t108 * t703 * t161 / 0.2e1 - t408 * t108 * t202 * t798 / 0.2e1 + t2038 - t… in func_pol()
1949 …54 * t770 / 0.9e1 - t1276 * t1012 * t253 * t149 * t357 / 0.2e1 - t211 * t536 * t254 * t798 / 0.2e1; in func_pol()
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| H A D | gga_k_apbeint.c | 700 double t789, t791, t794, t796, t798, t806, t808, t810; in func_pol() local
1278 t798 = t143 * t796 * t7; in func_pol()
1293 …t828 = -t785 / 0.9e1 - 0.5e1 / 0.6e1 * t791 - t794 / 0.9e1 + 0.5e1 / 0.6e1 * t798 + 0.2e1 / 0.9e1 … in func_pol()
1372 …e1 * t785 + 0.2e1 / 0.3e1 * t791 - 0.2e1 / 0.9e1 * t794 - 0.2e1 / 0.3e1 * t798 - t636 / 0.9e1 - t6… in func_pol()
1780 …+ t1924 + t1964) - t1090 - 0.5e1 / 0.2e1 * t791 - t1091 + 0.5e1 / 0.2e1 * t798 - t630 + 0.4e1 / 0.… in func_pol()
1824 …3e1 * t958 - 0.2e1 / 0.3e1 * t785 - t791 / 0.3e1 - 0.2e1 / 0.3e1 * t794 + t798 / 0.3e1 + 0.4e1 / 0… in func_pol()
1832 …2 / 0.5e1 * t950 + 0.6e1 / 0.5e1 * t954 + 0.2e1 * t958 - t785 + 0.2e1 * t791 - t794 - 0.2e1 * t798; in func_pol()
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| H A D | gga_x_lsrpbe.c | 570 double t784, t786, t788, t790, t792, t794, t796, t798; in func_pol() local
1119 t798 = t718 * t297 * t796; in func_pol()
1128 …t782 / 0.2e1 - t786 / 0.2e1 - t711 - t726 + t790 / 0.9e1 - t794 / 0.6e1 + t798 / 0.9e1 + t802 / 0.… in func_pol()
1486 …e1 / 0.9e1 * t725 + 0.2e1 / 0.9e1 * t790 - t794 / 0.3e1 + 0.2e1 / 0.9e1 * t798 + 0.2e1 / 0.3e1 * t… in func_pol()
1508 …t2035 = -t1600 - t1602 + t790 / 0.3e1 - t794 / 0.2e1 + t798 / 0.3e1 + t802 - t806 - t810 / 0.2e1 -… in func_pol()
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| H A D | gga_x_htbs.c | 1094 double t791, t798, t813, t815, t816, t822, t827, t829; in func_pol() local
1639 t798 = t771 * t66; in func_pol()
1647 …t798, t813 * t68 - 0.24390552529390783700e-1 * t816 * t205 + 0.91464571985215438873e-2 * t534 * t3… in func_pol()
2052 …781105058781567398e-1 * t534 * t822 + 0.55494314616508503410e-3 * t1208 * t798 + 0.894320259410995… in func_pol()
2156 …781105058781567400e-1 * t815 * t822 + 0.55494314616508503411e-3 * t1757 * t798 - 0.104051839905953… in func_pol()
2516 …7324732286479603e-2 * t1208 * t1732 + 0.83241471924762755115e-3 * t2585 * t798 + 0.210261792046993… in func_pol()
2616 …92419488678004547e-3 * t4398 * t512 + 0.11098862923301700682e-2 * t3776 * t798 - 0.499448831548576… in func_pol()
2695 …29390783700e-1 * t4772 * t33 * t205 + 0.83241471924762755114e-3 * t4398 * t798 + 0.221189227197165… in func_pol()
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| H A D | gga_k_ol2.c | 523 double t796, t798, t799, t801, t803, t804, t806, t807; in func_pol() local
1070 t798 = t71 * t72 * t796; in func_pol()
1071 t799 = t798 / 0.2e1; in func_pol()
1417 …59 + 0.4e1 * t763 + t8 * (t1929 + t1950) + 0.6e1 / 0.5e1 * t793 + 0.2e1 * t798 + 0.4e1 * t801 + 0.… in func_pol()
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_tpss03.F | 15843 1 797*t798
15852 1 t797*t798
15855 1 7*t798
16004 1 t798*t820
16138 1 *t53*t798
16195 1 *t53*t798
16302 1 t798*t844
16370 1 t798*t848
16806 1 t798*t820
16864 1 58*t798
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_tpss03.F | 15843 1 797*t798
15852 1 t797*t798
15855 1 7*t798
16004 1 t798*t820
16138 1 *t53*t798
16195 1 *t53*t798
16302 1 t798*t844
16370 1 t798*t848
16806 1 t798*t820
16864 1 58*t798
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_1d_csc.c | 498 double t792, t794, t798, t801, t804, t806, t808, t811; in func_pol() local
916 t798 = 0.6e1 * t9 * t792 / t794 * t35; in func_pol()
930 …* t116 * t110 * t124 - 0.24e2 * t111 * t112 * t365 - t785 - t787 - t791 - t798 + t801 + t804 + t80… in func_pol()
944 t866 = t717 - t734 + t765 - t771 - t775 + t778 - t780 + t782 + t785 + t787 + t791 + t798; in func_pol()
985 t907 = -t734 + t765 - t771 - t775 + t778 - t780 + t782 + t785 + t787 + t791 + t798 - t801; in func_pol()
998 t925 = t765 - t771 - t775 + t778 - t780 + t782 + t785 + t787 + t791 + t798 - t801; in func_pol()
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| H A D | lda_c_2d_amgb.c | 643 double t788, t793, t798, t801, t806, t809, t812, t814; in func_pol() local
1214 t798 = -0.2e1 * t126 - 0.6e1 * t617; in func_pol()
1217 t809 = -t798; in func_pol()
1218 …0.2e1 * t376 * t221 + 0.3e1 / 0.8e1 * t793 * t162 + 0.3e1 / 0.4e1 * t68 * t798 - 0.3e1 / 0.16e2 * … in func_pol()
1468 …0.16e2 * t788 * t223 + 0.3e1 * t217 * t38 * t240 + 0.3e1 / 0.4e1 * t217 * t798 * t162 + 0.3e1 / 0.… in func_pol()
1483 …t409 * t162 + 0.9e1 / 0.4e1 * t716 * t126 * t409 + 0.9e1 / 0.8e1 * t376 * t798 + 0.3e1 / 0.8e1 * t… in func_pol()
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| H A D | lda_c_pw.c | 535 double t783, t787, t788, t791, t794, t798, t800, t801; in func_pol() local
1124 …t798 = (-0.8e1 / 0.27e2 * t775 * t776 + 0.4e1 / 0.3e1 * t779 * t411 + 0.4e1 / 0.3e1 * t58 * t783 -… in func_pol()
1125 t800 = t798 * t99 * t137; in func_pol()
1152 t833 = t798 * t132; in func_pol()
1385 t1362 = t54 * t798 * t244; in func_pol()
1419 t1440 = t798 * t104 * t260; in func_pol()
1444 t1532 = t798 * t250 * t254; in func_pol()
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| H A D | lda_c_vwn_1.c | 764 double t798, t820, t826, t827, t834, t840, t846, t847; in func_pol() local
1174 t798 = t396 * t221; in func_pol()
1176 …t826 = -0.11e2 / 0.216e3 * t718 - t722 / 0.24e2 - t794 * t86 * t73 * t347 + t798 * t223 * t226 * t… in func_pol()
1346 …2 * t167 * t1168 - t650 * t651 * t142 * t145 / 0.108e3 - 0.16e2 / 0.9e1 * t798 * t223 * t505 * t14… in func_pol()
1347 …t1741 = -0.4e1 / 0.3e1 * t793 * t221 * t223 * t226 * t347 + 0.2e1 / 0.3e1 * t798 * t223 * t226 * t… in func_pol()
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| H A D | lda_xc_bn05.c | 792 double t793, t797, t798, t799, t802, t812, t816, t820; in func_pol() local
1544 t798 = t84 * t257; in func_pol()
1545 t799 = t797 * t798; in func_pol()
1809 t1383 = t1382 * t798; in func_pol()
2190 t2321 = t2320 * t798; in func_pol()
2209 t2377 = t2376 * t798; in func_pol()
2505 t3143 = t3142 * t798; in func_pol()
2727 t3784 = t3783 * t798; in func_pol()
2740 t3815 = t3814 * t798; in func_pol()
3353 …t798 + 0.40e2 / 0.81e2 * t6011 + 0.40e2 / 0.81e2 * t6013 - 0.8e1 / 0.27e2 * t6015 + 0.80e2 / 0.81e… in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_tpssloc.c | 693 t798 = t730 * t66; in func_unpol()
9211 t798 = t220 * t192; in func_pol()
11819 …t6211 = -0.2e1 * t4823 * t1364 + t6194 * t226 + 0.2e1 * t798 * t6199 - t798 * t6209 + t6180 - t618… in func_pol()
18537 …* t2373 * t6199 - t2373 * t6209 + 0.2e1 * t798 * t23867 - t798 * t23914 - 0.6e1 * t798 * t23921 + … in func_pol()
20909 t29960 = 0.4e1 * t798 * t29958; in func_pol()
20911 t29964 = 0.2e1 * t798 * t29962; in func_pol()
20940 t30001 = 0.6e1 * t798 * t29999; in func_pol()
21137 t30337 = 0.6e1 * t798 * t30335; in func_pol()
21139 t30341 = 0.4e1 * t798 * t30339; in func_pol()
21147 t30350 = 0.2e1 * t798 * t30348; in func_pol()
[all …]
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| H A D | mgga_x_m08.c | 69 double t798, t799, t802, t805, t808, t809, t812, t813; in func_unpol() local
522 t798 = t118 * t40; in func_unpol()
523 t799 = t798 * t55; in func_unpol()
941 …2 * t2862 - 0.6912e4 * t307 * t2868 - 0.7776e4 * t716 * t2868 - 0.216e3 * t798 * t2894 + t2998 + t… in func_unpol()
998 t3324 = t798 * t67; in func_unpol()
1405 double t797, t798, t805, t816, t819, t824, t829, t834; in func_ferr() local
1815 t798 = t797 * t140; in func_ferr()
2696 double t797, t798, t803, t808, t813, t818, t823, t826; in func_pol() local
3384 t798 = t208 * t173; in func_pol()
3390 …t201 * t798 - 0.7e1 * t206 * t803 - 0.8e1 * t211 * t808 - 0.9e1 * t216 * t813 - 0.10e2 * t221 * t8… in func_pol()
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_pbe.F | 1560 t77, t775, t776, t779, t78, t785, t789, t79, t795, t798, t8, t80, t801, t812, t82, t820, & local
2078 t798 = t273*t163
2079 t801 = t96*t798*k_srhoa/0.2e1_dp
2085 0.2e1_dp + t269*t277*phi1rhoa/0.2e1_dp + t96*t798*k_s1rhoa &
2211 t1231 = t96*t798*k_srhob/0.2e1_dp
2308 /0.2e1_dp + t269*t277*phi1rhob/0.2e1_dp + t96*t798* &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_pbe.F | 1560 t77, t775, t776, t779, t78, t785, t789, t79, t795, t798, t8, t80, t801, t812, t82, t820, & local
2078 t798 = t273*t163
2079 t801 = t96*t798*k_srhoa/0.2e1_dp
2085 0.2e1_dp + t269*t277*phi1rhoa/0.2e1_dp + t96*t798*k_s1rhoa &
2211 t1231 = t96*t798*k_srhob/0.2e1_dp
2308 /0.2e1_dp + t269*t277*phi1rhob/0.2e1_dp + t96*t798* &
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