/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_xc_th2.c | 551 double t4958, t4960, t4963, t4966, t4968, t4971, t4972, t4973; in func_pol() local 2017 t4966 = t586 * t201; in func_pol() 2024 …3 - 0.36683268518518518518e-1 * t1219 * t113 - 0.17607968888888888889e1 * t4966 + 0.77475063111111… in func_pol() 2066 …0 + t4963 + 0.25825021037037037037e1 * t5400 - 0.58693229629629629630e0 * t4966 + 0.51650042074074… in func_pol()
|
H A D | gga_x_am05.c | 1773 double t4957, t4958, t4965, t4966, t4968, t4970, t4979, t4989; in func_pol() local 3516 t4966 = t4965 * t927; in func_pol() 3521 …e1 + t4958 / 0.6e1 - t2158 * t444 * t915 * t625 / 0.3e1 - 0.2e1 / 0.9e1 * t4966 - t4970 - t2168 * … in func_pol() 3538 …v4rho3sigma[6] = -0.4e1 / 0.9e1 * t4966 - t4970 - t4979 - 0.4e1 / 0.3e1 * t4958 - 0.2e1 / 0.9e1 * … in func_pol() 3551 …v4rho3sigma[9] = -0.2e1 / 0.3e1 * t4966 - 0.2e1 / 0.3e1 * t5024 - 0.2e1 * t5036 + t4909 + t345 * t… in func_pol()
|
H A D | gga_x_q2d.c | 1193 double t4935, t4939, t4952, t4956, t4965, t4966, t4969, t4970; in func_pol() local 3298 t4966 = t1858 / 0.2304e4; in func_pol() 3304 …t4974 = -t1693 - t1697 + t1701 + t4966 + t4734 - t1706 / 0.2e1 - t1771 + t1775 + t1776 / 0.1152e4 … in func_pol() 3349 …t5198 = -t1690 + t4966 + t4734 - t1707 + t1777 - t4969 + t1860 / 0.1152e4 + t4970 + t4971 - t4972 … in func_pol()
|
H A D | gga_c_bmk.c | 1514 double t4958, t4959, t4960, t4962, t4964, t4966, t4967, t4969; in func_pol() local 4253 t4966 = t1980 * t1403; in func_pol() 4254 t4967 = t1392 * t4966; in func_pol() 6136 …00000000000000e1 * t2831 * t4966 - 0.40000000000000000000e1 * t4081 * t1542 * t4145 + 0.6000000000… in func_pol() 6308 …0000000000e1 * t4023 * t1933 * t4141 + 0.90000000000000000000e1 * t4136 * t4966 - 0.30000000000000… in func_pol() 6425 …0083628177e3 * t2563 * t1991 * t4969 + 0.90000000000000000000e1 * t4123 * t4966 + 0.50000000000000… in func_pol()
|
H A D | gga_c_op_b88.c | 870 double t4938, t4950, t4952, t4966, t4967, t4971, t4973, t4974; in func_pol() local 3001 t4966 = t376 * t531; in func_pol() 3002 t4967 = t281 * t4966; in func_pol() 3517 …t8286 = 0.40012820000000000000e0 * t1911 * t1903 * t4966 * t126 - 0.20006410000000000000e0 * t1911… in func_pol() 3657 …0000e1 * t434 * t8009 * t531 + 0.12003846000000000000e1 * t1911 * t2371 * t4966 * t186 - 0.6001923… in func_pol()
|
H A D | gga_c_pw91.c | 2062 double t4965, t4966, t4969, t4977, t4986, t4990, t4994, t4997; in func_pol() local 5248 t4966 = t4965 * t391; in func_pol() 5253 …690870060394415080e2 * t1261 * t4962 + 0.11127246706929610054e2 * t1261 * t4966 + 0.55636233534648… in func_pol() 8141 …0301972075402e1 * t97 * t963 * t4990 + 0.33381740120788830162e2 * t3335 * t4966 - 0.50072610181183… in func_pol() 8473 …690870060394415080e2 * t5301 * t3342 + 0.11127246706929610054e2 * t3977 * t4966 + 0.55636233534648… in func_pol() 9000 …767324025134e1 * t97 * t1600 * t4990 + 0.11127246706929610054e2 * t5159 * t4966 + 0.10224091148855… in func_pol() 9036 …261 * t5883 * t1051 + 0.12091369070007407349e0 * t18129 + 0.22254493413859220108e2 * t5301 * t4966; in func_pol()
|
H A D | gga_c_hcth_a.c | 1594 double t4966, t4971, t4976, t4977, t4981, t4983, t4986, t4991; in func_pol() local 4360 t4966 = t2459 * t117; in func_pol() 4362 … + 0.1217483520000000000e-5 * t1904 * t4963 + 0.19688361984000000000e-8 * t4966 * t4959 - 0.138633… in func_pol() 6640 …121735680000000e-9 * t10072 * t117 * t14053 - 0.72190660608000000000e-8 * t4966 * t14056 - 0.72190… in func_pol() 7237 …121735680000000e-9 * t10072 * t127 * t18181 - 0.21657198182400000000e-7 * t4966 * t18185 + 0.64695… in func_pol()
|
H A D | gga_c_sogga11.c | 1609 double t4953, t4966, t4971, t4978, t4983, t4987, t5006, t5049; in func_ferr() local 2689 t4966 = t1897 * t344; in func_ferr() 2694 …818248795252092591e2 * t1923 * t4902 - 0.38580836390927211754e0 * t1907 * t4966 - 0.10570120348810… in func_ferr() 2695 …613686596439069443e2 * t1942 * t4902 - 0.19290418195463605877e0 * t1932 * t4966 - 0.52850601744051… in func_ferr() 2704 …051489805e-1 * t369 * t4620 * t4948 - 0.96452090977318029386e-1 * t1979 * t4966 - 0.26425300872025… in func_ferr() 2705 …88659014693e0 * t1914 * t4966 - 0.13212650436012872452e0 * t176 * t815 * t138 * t4971 - 0.28935627… in func_ferr()
|
H A D | gga_xc_b97.c | 1873 double t4963, t4965, t4966, t4968, t4969, t4971, t4973, t4975; in func_pol() local 4875 t4966 = t4965 * t189; in func_pol() 4884 …* t4960 - 0.31090000000000000000e-1 * t4963 - 0.31090000000000000000e-1 * t4966 - 0.15545000000000… in func_pol() 6971 …000000000000000e-1 * t4960 - 0.93270000000000000000e-1 * t4963 - 0.93270000000000000000e-1 * t4966; in func_pol() 7793 …* t4960 - 0.62180000000000000000e-1 * t4963 - 0.62180000000000000000e-1 * t4966 - 0.31090000000000… in func_pol()
|
H A D | gga_x_sfat_pbe.c | 3410 double t4932, t4936, t4940, t4944, t4957, t4958, t4961, t4966; in func_pol() local 5916 t4966 = t1496 * t443; in func_pol() 5923 t5005 = t374 * t4966 * t18; in func_pol() 6011 …930e-2 * t1059 * t4961 * t1 * t1852 - 0.10350254004918634223e-2 * t1059 * t4966 * t1 * t1852 - 0.6… in func_pol()
|
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_pk09.c | 2528 double t4959, t4961, t4964, t4966, t4967, t4968, t4969, t4970; in func_pol() local 5014 t4966 = t269 * t4964 * t47; in func_pol() 5015 t4967 = 0.69444444444444444443e0 * t4966; in func_pol() 5050 t5046 = 0.22222222222222222222e0 * t4966; in func_pol() 5079 t5123 = 0.25208232546211783556e-1 * t4966; in func_pol() 5157 t5360 = 0.44444444444444444443e0 * t4966; in func_pol() 5201 t5492 = 0.35649824350307562843e0 * t4966; in func_pol() 5295 t5793 = 0.16411594620905902222e0 * t4966; in func_pol() 5353 t5976 = 0.17025586723563146667e0 * t4966; in func_pol() 5363 t6018 = 0.85127933617815831110e-1 * t4966; in func_pol()
|
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_pkzb.c | 1190 double t4966, t4967, t5006, t5024, t5025, t5030, t5041, t5042; in func_pol() local 3559 t4966 = 0.99304614205151653712e-3 * t4239 * t1743; in func_pol() 3562 …v4rhosigma3[9] = -t4960 - 0.19392480000000000000e1 * t498 * t3389 * t1737 * t158 + t4966 + 0.99304… in func_pol() 3592 … * t1737 * t207 - 0.43633080000000000000e1 * t498 * t1310 * t618 * t555 + t4966 + 0.99304614205151… in func_pol()
|
H A D | mgga_x_scanl.c | 5601 double t4966, t4967, t4977, t4978, t4981, t4984, t4985, t4987; in func_ferr() local 7778 t4966 = t1286 * t374; in func_ferr() 7779 t4967 = t46 * t4966; in func_ferr() 7780 t4977 = t4966 * t183; in func_ferr() 7788 t4997 = params->c1 * t4966; in func_ferr() 7789 t5000 = t732 * t4966; in func_ferr() 9580 …t4966 * t15747 - 0.500e3 / 0.27e2 * t2069 * t15750 - 0.5000e4 / 0.243e3 * t730 * t2094 * t4966 * t… in func_ferr() 10387 t22468 = t449 * t4966; in func_ferr() 11030 double t4951, t4952, t4953, t4956, t4957, t4965, t4966, t4970; in func_pol() local 14670 t4966 = t4017 * t4965; in func_pol() [all …]
|
H A D | mgga_c_m05.c | 3204 double t4958, t4959, t4963, t4964, t4965, t4966, t4969, t4970; in func_pol() local 6813 t4966 = t685 * t1442; in func_pol() 6827 …t4966 + 0.10240e5 / 0.9e1 * t4970 * t4966 - 0.4096e4 / 0.9e1 * t4974 * t4966 + 0.8192e4 / 0.3e1 * … in func_pol()
|
H A D | mgga_x_m08.c | 2831 double t4963, t4966, t4973, t4978, t4979, t4984, t4988, t4996; in func_pol() local 4649 t4966 = t213 * t474; in func_pol() 4653 ….280e3 / 0.9e1 * t523 * t4963 - 0.280e3 / 0.9e1 * t206 * t4966 - 0.320e3 / 0.9e1 * t530 * t4966 - … in func_pol() 4708 …t5220 = -0.280e3 / 0.9e1 * t248 * t4966 - 0.320e3 / 0.9e1 * t604 * t4966 - 0.320e3 / 0.9e1 * t250 … in func_pol()
|
H A D | mgga_x_rtpss.c | 3111 double t4954, t4955, t4958, t4961, t4966, t4967, t4968, t4971; in func_pol() local 5853 …t4966 = t4926 * t47 / 0.24e2 + 0.292e3 / 0.675e3 * t621 * t1773 + 0.292e3 / 0.2025e4 * t72 * t4943… in func_pol() 5854 t4967 = t16 * t4966; in func_pol() 7694 t12710 = t15 * t4966; in func_pol() 7705 t12837 = t1377 * t240 * t4966; in func_pol() 8436 …v4tau4[0] = -0.3e1 / 0.8e1 * t458 * t16 * t14276 * t633 + 0.3e1 / 0.2e1 * t3918 * t4966 * t829 * t… in func_pol()
|
H A D | mgga_k_pc07.c | 4142 double t4962, t4965, t4966, t4967, t4970, t4971, t4974, t4977; in func_ferr() local 5977 t4966 = t437 * t343; in func_ferr() 5987 …t5008 = 0.9409388004e2 * t4966 * t4967 + 0.9409388004e2 * t4970 * t4971 - 0.25353595976778e2 * t49… in func_ferr() 6224 …4794635704e2 * t4960 * t6327 - 0.16902397317852e2 * t4970 * t6330 + 0.6272925336e2 * t4966 * t6335; in func_ferr() 6236 …2 * t6339 * t6341 - 0.22536529757136e2 * t6344 * t6347 + 0.6272925336e2 * t4966 * t6350 + 0.125458… in func_ferr() 6429 …t7558 = 0.3136462668e2 * t4966 * t7525 + 0.6272925336e2 * t6353 * t5652 + 0.6272925336e2 * t4981 *… in func_ferr() 6468 … - 0.32334e1 * t138 * t7737 - 0.32334e1 * t138 * t7740 + 0.3136462668e2 * t4966 * t7743 - 0.253535… in func_ferr() 6823 …2 * t6431 * t6327 - 0.25353595976778e2 * t6426 * t6330 + 0.9409388004e2 * t4966 * t9995 + 0.188187… in func_ferr() 7057 …e2 * t6431 * t8343 - 0.8451198658926e1 * t6426 * t7546 + 0.3136462668e2 * t4966 * t11612 + 0.62729… in func_ferr() 7064 …t11667 = 0.3136462668e2 * t4966 * t11629 + 0.6272925336e2 * t6353 * t7572 - 0.8451198658926e1 * t4… in func_ferr() [all …]
|
H A D | mgga_x_sa_tpss.c | 3968 double t4952, t4961, t4966, t4969, t4979, t4981, t4988, t4992; in func_ferr() local 5901 t4966 = t175 * t3070; in func_ferr() 5902 …t1611 * t4961 + 0.24999999999999999999e0 * t4405 * t1466 - 0.18518518518518518518e0 * t4966 * t195; in func_ferr() 7015 …3333333330e0 * t4682 + 0.92592592592592592590e0 * t4685 + 0.27777777777777777777e0 * t4966 * t5560; in func_ferr() 7278 …13 - 0.46296296296296296293e-1 * t585 * t15465 * t13981 + 0.27777777777777777777e0 * t4966 * t2261; in func_ferr() 7334 … - 0.12500000000000000000e1 * t15083 * t1466 + 0.11111111111111111111e1 * t4966 * t2654 + 0.370370… in func_ferr() 7623 double t4951, t4956, t4958, t4960, t4962, t4964, t4966, t4968; in func_pol() local 10330 t4966 = t951 * t4641; in func_pol() 10333 …- 0.10e2 / 0.243e3 * t4962 - 0.5e1 / 0.5832e4 * t4964 + 0.5e1 / 0.648e3 * t4966 - 0.5e1 / 0.3888e4… in func_pol() 13642 … 0.200e3 / 0.243e3 * t4962 - 0.25e2 / 0.729e3 * t4964 + 0.25e2 / 0.81e2 * t4966 - 0.25e2 / 0.486e3… in func_pol()
|
H A D | mgga_x_tpss.c | 1895 double t4936, t4939, t4955, t4966, t4969, t4983, t4986, t5015; in func_ferr() local 3154 t4966 = t3632 * t377 * t1401; in func_ferr() 3157 …* t2135 + t368 * t2138 + 0.2e1 * t368 * t2141 + 0.3e1 / 0.4096e4 * t368 * t4966 - 0.15e2 / 0.512e3… in func_ferr() 3288 …29 / 0.16e2 - 0.9e1 / 0.512e3 * t1542 * t1745 + 0.9e1 / 0.4096e4 * t510 * t4966 + 0.9e1 / 0.512e3 … in func_ferr() 3304 …13 / 0.64e2 - 0.3e1 / 0.128e3 * t1725 * t1745 + 0.3e1 / 0.2048e4 * t626 * t4966 + 0.3e1 / 0.512e3 … in func_ferr()
|
H A D | mgga_c_kcis.c | 255 double t4928, t4934, t4962, t4966, t4994, t5028, t5056, t5063; in func_unpol() local 2217 t4966 = t1864 * t1811; in func_unpol() 2865 double t4965, t4966, t4969, t4996, t4999, t5019, t5024, t5030; in func_ferr() local 4241 t4966 = t890 * t2043; in func_ferr() 4248 …* t269 * t2226 + 0.80937500000000000000e-1 * t313 * t803 * t145 - 0.2e1 * t4966 - t372 * t4930 / 0… in func_ferr() 4741 double t4957, t4958, t4959, t4961, t4963, t4964, t4966, t4967; in func_pol() local 9930 t4966 = t1577 * t1377; in func_pol() 9931 t4967 = t367 * t4966; in func_pol() 15496 t18106 = t1574 * t4966; in func_pol() 29531 t97474 = t7263 * t4966 / 0.8e1; in func_pol() [all …]
|
H A D | mgga_c_bc95.c | 2343 double t4964, t4965, t4966, t4968, t4969, t4971, t4972, t4974; in func_pol() local 5961 t4966 = t1507 * t4965; in func_pol() 5996 …1 * t4954 - 0.10370370370370370371e2 * t4959 + 0.11851851851851851852e2 * t4966 + 0.29629629629629… in func_pol() 9437 …t15121 = -0.20740740740740740742e2 * t4959 + 0.23703703703703703704e2 * t4966 + 0.5925925925925925… in func_pol() 9832 …1 * t4954 - 0.31111111111111111112e2 * t4959 + 0.35555555555555555556e2 * t4966 + 0.88888888888888… in func_pol()
|
H A D | mgga_x_msb.c | 3150 double t4955, t4957, t4959, t4960, t4961, t4966, t4968, t4971; in func_pol() local 5779 t4966 = t1403 * t147; in func_pol() 5780 t4968 = t8 * t4966 * t1406; in func_pol() 5884 t5546 = t8 * t4966 * t1881; in func_pol()
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
H A D | mpfr_yukawa.f90 | 829 t4936,t4941,t4949,t4952,t4957,t4964,t4966,t4970,t4975,t4979,t4981,t4985 local 3291 t4966 = t167 * t4964 * t171 3296 …9" / .CONVERT."0.32D2" * t1343 - .CONVERT."0.429D3" / .CONVERT."0.16D2" * t4966 + .CONVERT."0.1956… 3850 …RT."-0.417161745D9" / .CONVERT."0.32D2" * t1343 + .CONVERT."0.3003D4" / .CONVERT."0.8D1" * t4966 & 4500 ….CONVERT."0.16D2" * t4966 - .CONVERT."0.88476813550125D14" / .CONVERT."0.1024D4" * t7608 - .CONVER… 5266 ….CONVERT."0.893918025D9" / .CONVERT."0.16D2" * t1343 + .CONVERT."0.15015D5" * t4966 + .CONVERT."0.… 6153 …* t4966 - .CONVERT."0.1504105830352125D16" / .CONVERT."0.128D3" * t7608 - .CONVERT."0.18573630075D… 7176 + .CONVERT."0.459459D6" / .CONVERT."0.2D1" * t4966 + t13236 / .CONVERT."0.4D1" 8262 …* t12650 - .CONVERT."0.2909907D7" / .CONVERT."0.4D1" * t4966 - .CONVERT."0.19D2" / .CONVERT."0.4D1… 9431 …+ .CONVERT."0.2078505D7" * t4966 - .CONVERT."0.855D3" * t17901 - .CONVERT."0.14233707379876359375D… [all …]
|
/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
H A D | mpfr_yukawa.f90 | 829 t4936,t4941,t4949,t4952,t4957,t4964,t4966,t4970,t4975,t4979,t4981,t4985 local 3291 t4966 = t167 * t4964 * t171 3296 …9" / .CONVERT."0.32D2" * t1343 - .CONVERT."0.429D3" / .CONVERT."0.16D2" * t4966 + .CONVERT."0.1956… 3850 …RT."-0.417161745D9" / .CONVERT."0.32D2" * t1343 + .CONVERT."0.3003D4" / .CONVERT."0.8D1" * t4966 & 4500 ….CONVERT."0.16D2" * t4966 - .CONVERT."0.88476813550125D14" / .CONVERT."0.1024D4" * t7608 - .CONVER… 5266 ….CONVERT."0.893918025D9" / .CONVERT."0.16D2" * t1343 + .CONVERT."0.15015D5" * t4966 + .CONVERT."0.… 6153 …* t4966 - .CONVERT."0.1504105830352125D16" / .CONVERT."0.128D3" * t7608 - .CONVERT."0.18573630075D… 7176 + .CONVERT."0.459459D6" / .CONVERT."0.2D1" * t4966 + t13236 / .CONVERT."0.4D1" 8262 …* t12650 - .CONVERT."0.2909907D7" / .CONVERT."0.4D1" * t4966 - .CONVERT."0.19D2" / .CONVERT."0.4D1… 9431 …+ .CONVERT."0.2078505D7" * t4966 - .CONVERT."0.855D3" * t17901 - .CONVERT."0.14233707379876359375D… [all …]
|
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
H A D | mgga_x_tb09.c | 2218 double t4937, t4941, t4945, t4949, t4962, t4963, t4966, t4967; in func_ferr() local 3620 t4966 = t641 * t494; in func_ferr() 3621 t4967 = 0.2e1 / 0.3e1 * t4966; in func_ferr() 3797 t5565 = 0.4e1 / 0.3e1 * t4966; in func_ferr() 3953 …t6362 = t6351 - t6352 + 0.6e1 * t4962 - 0.2e1 * t4966 + 0.4e1 * t5013 + 0.12e2 * t5050 - 0.12e2 * … in func_ferr()
|