/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_xc_th1.c | 635 double t6037, t6039, t6041, t6055, t6062, t6071, t6072, t6074; in func_pol() local 2278 t6074 = t543 * t34 * t6018; in func_pol() 2283 … -0.2e1 / 0.9e1 * t6072 * t6074 - 0.2e1 / 0.9e1 * t6077 * t6074 - 0.2e1 / 0.9e1 * t6080 * t6074 - … in func_pol()
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H A D | gga_x_bpccac.c | 1503 double t6055, t6061, t6067, t6074, t6086, t6108, t6118, t6119; in func_pol() local 3306 t6074 = t2443 * t63; in func_pol() 3307 …4531249999998e-1 * t33 * t5938 * t209 + 0.50492655567616321177e-1 * t58 * t6074 * t517 + 0.4725187… in func_pol() 3308 …t6074 * t2734 - 0.9e1 / 0.4e1 * t1266 * t6074 * t1245 - 0.9e1 / 0.4e1 * t1266 * t5947 * t1245 - 0.… in func_pol()
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H A D | gga_xc_th2.c | 562 double t5987, t6004, t6027, t6030, t6059, t6074, t6075, t6080; in func_pol() local 2128 t6074 = t825 * t57; in func_pol() 2129 t6075 = t6074 * t196; in func_pol() 2166 t6462 = t6074 * t281; in func_pol()
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H A D | gga_x_lag.c | 897 double t6060, t6066, t6070, t6072, t6073, t6074, t6079, t6084; in func_pol() local 3385 t6074 = t6073 * t99; in func_pol() 3391 …t6074 - t6079 - 0.10869309472365516351e-9 * t1484 * t3353 * t6037 - t6084 + 0.17615430588624192467… in func_pol()
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H A D | gga_c_revtca.c | 1394 double t6059, t6062, t6066, t6070, t6071, t6072, t6073, t6074; in func_pol() local 4467 t6074 = 0.20641498013057968718e-3 * t5563; in func_pol() 4502 ….23454629830759022089e0 * t5690 - t5828 + t6110 - t6111 - t6072 - t6073 - t6074 + t6075 + t5858 + … in func_pol() 4724 …213308309095e-2 * t5532 + t6070 - 0.37043856055395555554e2 * t6071 - t6073 - t6074 + t6075 + t6079; in func_pol() 4834 …t7288 = -t6074 + t6075 + t6079 - t6081 - t6083 - t6796 - t6797 + t6092 + t6095 - t6798 + t6805 - t… in func_pol() 4870 t7536 = -t6073 - t6074 + t6075 + t6079 - t6081 - t6083 - t6086 - t6089 + t6092 + t6095 + t6098; in func_pol()
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H A D | gga_c_scan_e0.c | 1681 double t6074, t6076, t6088, t6105, t6111, t6122, t6146, t6152; in func_pol() local 4706 t6074 = t4468 * t343; in func_pol() 4708 …9 + t6071 - 0.11524536070137145298e1 * t6072 + 0.92480845007273388189e0 * t6074 + 0.46098144280548… in func_pol() 5004 …1 * t6070 - 0.76830240467580968652e0 * t6072 + 0.18496169001454677638e1 * t6074 + 0.30732096187032… in func_pol() 5193 … - 0.97574405393827830185e-3 * t7457 + t6071 + 0.27744253502182016457e1 * t6074 + 0.86743646395112… in func_pol() 5279 … * t7455 - 0.19514881078765566037e-2 * t7457 + 0.36992338002909355276e1 * t6074 + 0.17348729279022… in func_pol()
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H A D | gga_x_beefvdw.c | 1788 double t6074, t6086, t6103, t6111, t6120, t6129, t6180, t6191; in func_pol() local 3612 t6074 = t2645 * t2683; in func_pol() 3615 …* t6016 - 0.2e1 / 0.9e1 * t5512 + t5968 - t5488 / 0.6e1 - 0.2e1 / 0.9e1 * t6074 + t2649 * t5996 * … in func_pol() 3628 …v4rho3sigma[9] = -0.2e1 / 0.3e1 * t6009 - 0.2e1 / 0.3e1 * t6074 - 0.2e1 * t6086 + t5968 + t397 * t… in func_pol()
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H A D | gga_c_sg4.c | 7652 t6074 = t1298 * t5403; in func_pol() 7653 t6075 = t1533 * t6074; in func_pol() 7930 t6648 = t1777 * t6074; in func_pol() 11590 t19194 = t4925 * t6074; in func_pol() 11592 t19196 = t4965 * t6074; in func_pol() 12169 t20883 = t4951 * t6074; in func_pol() 12498 t22215 = t6105 * t6074; in func_pol() 12808 t23422 = t6098 * t6074; in func_pol() 12931 t24537 = t6664 * t6074; in func_pol() 13053 t25178 = t6656 * t6074; in func_pol() [all …]
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H A D | gga_c_ft97.c | 2795 t6074 = t16 * t1818; in func_unpol() 13439 t6074 = t258 * t1424; in func_pol() 13440 t6075 = t6074 * t684; in func_pol() 13802 t6848 = t6074 * t1091; in func_pol() 21184 t24388 = t6074 * t2413; in func_pol() 21186 t24392 = t6074 * t2405; in func_pol() 21309 t24624 = t6074 * t2409; in func_pol() 22828 t28171 = t6074 * t3746; in func_pol() 22831 t28176 = t6074 * t3880; in func_pol() 23985 t31069 = t6074 * t4969; in func_pol() [all …]
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H A D | gga_x_ncap.c | 2340 double t6015, t6028, t6040, t6057, t6065, t6074, t6083, t6103; in func_pol() local 4412 t6074 = t2236 * t2290; in func_pol() 4415 …* t509 * t932 * t557 / 0.3e1 + t2250 * t825 * t932 * t8 - 0.2e1 / 0.3e1 * t6074 - t2240 * t2258 * … in func_pol() 4501 …* t2258 * t1905 / 0.2e1 - 0.2e1 / 0.3e1 * t6057 - 0.4e1 * t6065 - 0.2e1 * t6074 - 0.2e1 / 0.3e1 * … in func_pol()
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H A D | gga_c_bmk.c | 1565 double t6058, t6063, t6066, t6067, t6070, t6071, t6074, t6075; in func_pol() local 4668 t6074 = t882 * t1306; in func_pol() 4669 t6075 = t6074 * t62; in func_pol() 6818 t19094 = t6074 * sigma[0]; in func_pol()
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H A D | gga_c_op_b88.c | 891 double t6068, t6072, t6074, t6077, t6081, t6085, t6090, t6093; in func_pol() local 3177 …t6074 = -0.13337606666666666667e0 * t554 * t1781 + 0.12003846000000000000e1 * t6026 + 0.1200384600… in func_pol() 3255 v4rho3sigma[0] = t5911 + t5971 + t6021 + t6074 + t6469 + t6526 + t6598 + t6659; in func_pol()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 388 t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & local 2621 t6074 = 0.8099999996e2_dp*t496*t4769*t1141*t4915 2627 *t6066 - 0.1000000000e1_dp*t237*t705*t1722 + t6074 - 0.2000000002e1_dp & 2821 *t6060 + t6063 + 0.3333333334e0_dp*t6066 + t6074 - 0.1000000001e1_dp & 3167 t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & local 5397 t6074 = 0.8099999996e2_dp*t496*t4769*t1141*t4915 5403 *t6066 - 0.1000000000e1_dp*t237*t705*t1722 + t6074 - 0.2000000002e1_dp & 5597 *t6060 + t6063 + 0.3333333334e0_dp*t6066 + t6074 - 0.1000000001e1_dp &
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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 388 t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & local 2621 t6074 = 0.8099999996e2_dp*t496*t4769*t1141*t4915 2627 *t6066 - 0.1000000000e1_dp*t237*t705*t1722 + t6074 - 0.2000000002e1_dp & 2821 *t6060 + t6063 + 0.3333333334e0_dp*t6066 + t6074 - 0.1000000001e1_dp & 3167 t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & local 5397 t6074 = 0.8099999996e2_dp*t496*t4769*t1141*t4915 5403 *t6066 - 0.1000000000e1_dp*t237*t705*t1722 + t6074 - 0.2000000002e1_dp & 5597 *t6060 + t6063 + 0.3333333334e0_dp*t6066 + t6074 - 0.1000000001e1_dp &
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_m06l.c | 2931 double t6074, t6077, t6080, t6101, t6113, t6114, t6121, t6124; in func_pol() local 5585 t6074 = t407 * t2267; in func_pol() 5810 …2603 * t3361 - 0.89628480000000000000e-1 * t1028 * t7474 - 0.33610680e0 * t6074 * t3358 + 0.448142… in func_pol() 5980 … + 0.36e2 * t3935 * t2272 + 0.13444272e0 * t5623 * t1688 - 0.67221360e0 * t6074 * t3904 + 0.134442… in func_pol() 6108 …t9362 = 0.4481424e-1 * t3413 * t3344 - 0.4183991889120e-3 * t6074 * t4388 - 0.209199594456e-4 * t2… in func_pol() 6235 …e-1 * t7563 * t1688 + 0.4481424e-1 * t3413 * t3948 - 0.8367983778240e-3 * t6074 * t4507 - 0.418399… in func_pol() 6372 …e0 * t8532 * t1688 + 0.8962848e-1 * t3935 * t3948 - 0.16735967556480e-2 * t6074 * t4808 - 0.836798… in func_pol() 6473 …88 - 0.66943870225920000000e-3 * t3413 * t395 - 0.390630034743910560e-6 * t6074 * t2311 + 0.234378… in func_pol() 6613 …t10887 = 0.1673596755648e-3 * t7563 * t696 - 0.781260069487821120e-6 * t6074 * t3677 - 0.312504027… in func_pol() 6818 …t10996 = 0.1673596755648e-3 * t7563 * t2026 - 0.1562520138975642240e-5 * t6074 * t4647 - 0.6250080… in func_pol() [all …]
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H A D | mgga_x_msb.c | 3171 double t6008, t6009, t6016, t6022, t6034, t6040, t6074, t6081; in func_pol() local 5960 t6074 = t106 * t712; in func_pol() 5961 …14 + 0.12e2 * t2067 * t249 * t261 - 0.6e1 * t267 * t753 * t764 + 0.72e2 * t6074 * t672 * t714 + 0.… in func_pol() 6102 t7046 = t6074 * t128; in func_pol() 6114 t7156 = t6074 * t2512; in func_pol() 6385 … 0.12e2 * t2046 * t1168 * t714 + 0.24e2 * t5850 * t1165 * t714 + 0.12e2 * t6074 * t1165 * t671 + 0… in func_pol() 6559 t9949 = t6074 * t380; in func_pol() 6567 t10080 = t6074 * t393; in func_pol() 6713 …+ 0.12e2 * t6074 * t1317 * t714 + 0.24e2 * t5850 * t1336 * t714 - 0.6e1 * t2028 * t1353 * t671 + 0… in func_pol() 6832 …t11663 = 0.15e2 / 0.2e1 * t4098 * t900 + t11548 + 0.9e1 / 0.4e1 * t6074 * t8959 * t4252 * t3345 - … in func_pol() [all …]
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H A D | mgga_c_tpssloc.c | 4265 double t6061, t6065, t6066, t6071, t6074, t6075, t6078, t6079; in func_pol() local 11745 t6074 = t1018 * t1543; in func_pol() 11746 t6075 = t6074 * t232; in func_pol() 11752 …2 + 0.135e2 * t5985 * t1018 + 0.135e2 * t3765 * t1543 + 0.270e2 * t2770 * t6074 + 0.135e2 * t965 *… in func_pol() 18375 t23474 = t6074 * t816; in func_pol() 18441 t23729 = t6074 * t1159; in func_pol() 20410 t28556 = t76 * t6074; in func_pol() 37150 t119154 = t6074 * t161; in func_pol() 37172 t119230 = t417 * t6074; in func_pol() 37306 …23 * t6065 + 0.135e2 * t116223 * t1018 + 0.270e2 * t65377 * t6074 + 0.270e2 * t77324 * t6074 + 0.2… in func_pol() [all …]
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H A D | mgga_xc_cc06.c | 1150 double t6074, t6079, t6080, t6081, t6082, t6093, t6096, t6110; in func_pol() local 4059 t6074 = t94 * t2299; in func_pol() 4067 …v4rholapl3[1] = t6074 + t230 * t2299 + t232 * (0.30821904063999150073e-5 * t4791 * t847 * t241 - 0… in func_pol() 4093 …v4rholapl3[5] = t6074 + t276 * t2299 + t232 * (-0.30821904063999150073e-5 * t819 * t2292 + 0.30821… in func_pol()
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H A D | mgga_x_vt84.c | 3507 double t6074, t6080, t6087, t6098, t6114, t6117, t6118, t6122; in func_ferr() local 5456 t6074 = t108 * t4595; in func_ferr() 5457 …061 + 0.30180600000000000000e-2 * t219 * t368 * t1423 + 0.80e2 / 0.27e2 * t6074 * t373 * t1397 + 0… in func_ferr() 5699 t7929 = t6074 * t93; in func_ferr() 5840 …t2021 * t1226 * t542 - 0.20e2 / 0.81e2 * t563 * t3134 + 0.80e2 / 0.27e2 * t6074 * t1223 * t542 - 0… in func_ferr() 6261 …30180600000000000000e-2 * t219 * t12965 * t107 * t112 + 0.80e2 / 0.27e2 * t6074 * t4182 * t195 + t… in func_ferr() 6339 …00000e-3 * t853 * t3549 + 0.2e1 * t867 * t868 * t3548 + 0.80e2 / 0.27e2 * t6074 * t373 * t3461 + 0… in func_ferr() 6398 …16 * t952 - 0.74520000000000000000e-3 * t2224 * t3676 + 0.80e2 / 0.27e2 * t6074 * t1223 * t996 - 0… in func_ferr() 6428 …82 * t1113 + 0.10412307000000000000e-6 * t4091 * t302 + 0.80e2 / 0.27e2 * t6074 * t4182 * t289 - 0… in func_ferr() 6469 … * t15275 - 0.67068000000000000000e-2 * t3151 * t9522 + 0.80e2 / 0.27e2 * t6074 * t93 * t15275 - 0… in func_ferr()
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H A D | mgga_c_b88.c | 2841 double t6073, t6074, t6075, t6077, t6079, t6080, t6082, t6083; in func_pol() local 7293 t6074 = t4622 * t11; in func_pol() 7294 t6075 = t9 * t6074; in func_pol() 9652 t19960 = t146 * t6074; in func_pol() 9774 t20784 = t262 * t6074; in func_pol()
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H A D | mgga_x_mbeefvdw.c | 277 double t6074, t6075, t6077, t6079, t6081, t6082, t6084, t6085; in func_unpol() local 3017 t6074 = t711 * t5778; in func_unpol() 3018 t6075 = t6074 * t346; in func_unpol() 5630 t17035 = t6074 * t995; in func_unpol() 17113 double t6070, t6071, t6073, t6074, t6098, t6104, t6117, t6120; in func_pol() local 21007 t6074 = t6037 + t6073; in func_pol() 21009 … * t608 * t1890 + 0.401122209e-6 * t1919 * t596 - 0.549909413e-7 * t203 * t6074 + 0.133707403e-6 *… in func_pol() 21073 …t6400 = -0.74303505150000000000e-1 * t5979 + 0.574317889e-7 * t209 * t6074 + 0.1055956065000000000… in func_pol() 25376 …t20182 = -0.7895391048e-5 * t583 * t6074 - 0.5921543286e-5 * t20151 * t230 + 0.1817061651e-5 * t20… in func_pol() 26805 …t1847 * t2742 - 0.1649728239e-6 * t2700 * t1772 - 0.549909413e-7 * t935 * t6074 - 0.42419246113397… in func_pol() [all …]
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H A D | mgga_x_br89_explicit.c | 270 double t6054, t6055, t6058, t6061, t6066, t6071, t6073, t6074; in func_unpol() local 2823 t6074 = t6073 * t1069; in func_unpol() 2829 …t6084 = 0.70705783720216173325e-1 * t6071 - 0.87328352749685979673e0 * t6074 + 0.77910617241800146… in func_unpol() 2848 …t6147 = 0.10472501399791716733e0 * t6071 - 0.12439049569446684649e1 * t6074 + 0.102816974483335050… in func_unpol() 2871 …t6221 = -0.19034327906510550830e-1 * t6071 - 0.14176605185203591577e2 * t6074 - 0.3762213300846286… in func_unpol() 2874 …t6232 = -0.23090309406675184416e-1 * t6071 - 0.15165113349894400451e2 * t6074 - 0.3527614385748495… in func_unpol() 7360 double t6073, t6074, t6077, t6082, t6083, t6088, t6093, t6098; in func_ferr() local 9786 t6074 = t2691 * t1031; in func_ferr() 14001 double t6074, t6075, t6078, t6081, t6086, t6090, t6093, t6094; in func_pol() local 19278 t6075 = t374 * t6074; in func_pol() [all …]
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H A D | mgga_x_mn12.c | 191 double t6071, t6074, t6101, t6114, t6127, t6130, t6133, t6136; in func_unpol() local 1626 t6074 = t145 * t54; in func_unpol() 1627 …t6068 * t5175 + 0.100000e6 / 0.9e1 * t6071 * t5175 + 0.20000e5 / 0.27e2 * t6074 * t5175 + 0.217600… in func_unpol() 1724 …1 * t1287 * t6949 - 0.6560e4 / 0.9e1 * t1293 * t6949 - 0.4000e4 / 0.9e1 * t6074 * t6961 - 0.32000e… in func_unpol() 1785 …t8609 = 0.800e3 / 0.3e1 * t6074 * t8275 + 0.6400e4 / 0.3e1 * t6058 * t8275 + 0.4000e4 / 0.3e1 * t6… in func_unpol() 1852 …e4 * t6065 * t9420 - 0.4800e4 * t6068 * t9420 - 0.2400e4 * t6071 * t9420 - 0.160e3 * t6074 * t9420; in func_unpol()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
H A D | mpfr_yukawa.f90 | 848 t6059,t6067,t6070,t6074,t6076,t6095,t6103,t6111,t6116,t6124,t6126,t6131,& local 3801 t6074 = t472 * t533 * t1783 3809 / .CONVERT."0.16D2" * t3901 - .CONVERT."0.294992948250D12" * t6074 4463 / .CONVERT."0.1024D4" * t7512 + .CONVERT."0.4424894223750D13" * t6074 5214 * t7512 - .CONVERT."0.35399153790000D14" * t6074 6086 * t6074 + .CONVERT."0.12443057323822125D17" / .CONVERT."0.512D3" * t9111 - & 6788 …- .CONVERT."0.902678421645000D15" * t6074 - .CONVERT."0.111987515914399125D18" / .CONVERT."0.512D3… 8635 …* t6074 + .CONVERT."0.54558020573681625D17" / .CONVERT."0.1024D4" * t7574 + .CONVERT."0.2111894104… 9329 …t6074 - .CONVERT."0.3546271337289305625D19" / .CONVERT."0.512D3" * t9111 + .CONVERT."0.41162136027… 11168 / .CONVERT."0.128D3" * t7512 + .CONVERT."0.34301780022510000D17" * t6074 &
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/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
H A D | mpfr_yukawa.f90 | 848 t6059,t6067,t6070,t6074,t6076,t6095,t6103,t6111,t6116,t6124,t6126,t6131,& local 3801 t6074 = t472 * t533 * t1783 3809 / .CONVERT."0.16D2" * t3901 - .CONVERT."0.294992948250D12" * t6074 4463 / .CONVERT."0.1024D4" * t7512 + .CONVERT."0.4424894223750D13" * t6074 5214 * t7512 - .CONVERT."0.35399153790000D14" * t6074 6086 * t6074 + .CONVERT."0.12443057323822125D17" / .CONVERT."0.512D3" * t9111 - & 6788 …- .CONVERT."0.902678421645000D15" * t6074 - .CONVERT."0.111987515914399125D18" / .CONVERT."0.512D3… 8635 …* t6074 + .CONVERT."0.54558020573681625D17" / .CONVERT."0.1024D4" * t7574 + .CONVERT."0.2111894104… 9329 …t6074 - .CONVERT."0.3546271337289305625D19" / .CONVERT."0.512D3" * t9111 + .CONVERT."0.41162136027… 11168 / .CONVERT."0.128D3" * t7512 + .CONVERT."0.34301780022510000D17" * t6074 &
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