/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_scan_e0.c | 1622 double t4489, t4490, t4491, t4495, t4496, t4497, t4498, t4499; in func_pol() local 4234 t4495 = 0.12304822629859687989e5 * t229 * t4018 * t3669 * t1305; in func_pol() 4241 …t4502 = t4149 + t4152 + t4155 - t4097 - t4100 - t4103 - t4168 + t4170 + t4491 + t4495 + t4497 + t4… in func_pol() 4508 …- t5325 - t4097 - t5327 - t4100 - t4103 - t5330 + t5332 - t4168 + t5333 + t4495 + t5334 + t5335 - … in func_pol() 4715 …t6174 = 0.9e1 * t572 * t1902 * t598 - t4100 - t4103 - t4168 + t4495 - t5330 + t5332 + t5333 + t533… in func_pol() 4997 …- t4100 - t4103 - t7426 + t7427 - t4168 - t7428 + t7430 + t7433 + t7434 + t4495 + t7435 - t7436 - … in func_pol() 5018 …86 * t2746 * t383 + 0.2e1 * t771 * t7598 * t582 + 0.12e2 * t5076 * t946 + t4495 + t7430 + t7433 + … in func_pol() 5172 …21 - t7918 - t7922 - t4097 - t4100 - t4103 + t8309 - t4168 + t8310 + t8311 + t4495 - t5335 + t5336; in func_pol() 5197 …040 + 0.3e1 * t572 * t8663 * t240 + 0.3e1 * t572 * t573 * t2836 - t4168 + t4495 - t5335 + t5336 + … in func_pol() 5273 …77 + t8978 - t8979 - t8980 - t8981 - t4097 + t8983 - t4100 - t4103 + t8984 - t4168 + t4170 + t4495; in func_pol() [all …]
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H A D | gga_xc_th1.c | 611 double t4483, t4485, t4487, t4489, t4491, t4493, t4495, t4497; in func_pol() local 2064 t4495 = t2113 * t162; in func_pol() 2065 … 0.16e2 / 0.27e2 * t4489 - 0.3e1 / 0.4e1 * t4491 + 0.3e1 / 0.4e1 * t4493 - 0.20e2 / 0.27e2 * t4495; in func_pol() 2113 …0.27e2 * t4487 + 0.64e2 / 0.27e2 * t4489 + 0.3e1 * t4491 + 0.3e1 * t4493 + 0.80e2 / 0.27e2 * t4495; in func_pol()
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H A D | gga_c_ft97.c | 12758 t4496 = t370 * t4495; in func_pol() 17642 t15604 = t4495 * t358; in func_pol() 17919 t16186 = t2 * t4495; in func_pol() 17970 t16317 = t4495 * t432; in func_pol() 17972 t16322 = t4495 * t492; in func_pol() 18039 t16513 = t103 * t4495; in func_pol() 19414 t19965 = t72 * t4495; in func_pol() 19444 t20018 = t925 * t4495; in func_pol() 19608 t20422 = t4495 * t942; in func_pol() 19610 t20427 = t4495 * t979; in func_pol() [all …]
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H A D | gga_c_lyp.c | 601 double t4493, t4495, t4499, t4506, t4507, t4510, t4511, t4525; in func_pol() local 2339 t4495 = t76 * t4458; in func_pol() 2346 … / 0.9e1 * t4491 - 0.160e3 / 0.243e3 * t4493 - t3917 + 0.160e3 / 0.81e2 * t4495 - 0.20e2 / 0.9e1 *… in func_pol() 2418 …6e3 / 0.3e1 * t4491 - 0.80e2 / 0.81e2 * t4493 - t3722 + 0.80e2 / 0.27e2 * t4495 + 0.320e3 / 0.9e1 … in func_pol()
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H A D | gga_x_pbetrans.c | 1377 double t4431, t4451, t4453, t4457, t4492, t4493, t4495, t4514; in func_pol() local 2841 t4495 = t1558 * t1897; in func_pol() 2877 …v4rho2sigma2[0] = -t4492 - 0.4e1 / 0.3e1 * t4493 - t4495 - t209 * t383 * t721 * t260 / 0.6e1 - t20… in func_pol() 2898 …v4rho2sigma2[6] = -t4492 - 0.2e1 / 0.3e1 * t4493 - t4495 / 0.2e1 - 0.2e1 / 0.3e1 * t4842 - t1562 *… in func_pol()
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H A D | gga_k_dk.c | 938 double t4403, t4412, t4437, t4483, t4495, t4501, t4508, t4537; in func_pol() local 2757 …t4495 = t1089 * t1097 * t1581 + t1089 * t455 * t668 * t7 - t454 * t455 * t288 * t1179 / 0.2e1 - t4… in func_pol() 2758 …t4501 = t8 * (t4373 + t4391 + t4437 + t4495) - t1635 - t1637 - t1639 - t1642 - t1646 + t1650 + t16… in func_pol()
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H A D | gga_c_op_pw91.c | 918 double t4465, t4478, t4485, t4495, t4496, t4504, t4514, t4518; in func_pol() local 2997 t4495 = t17 * t3080; in func_pol() 3016 …1 * t1243 + 0.4e1 / 0.27e2 * t150 * t402 * t1314 + 0.8e1 / 0.3e1 * t150 * t4495 * t4496 - 0.4e1 * … in func_pol() 3334 t6435 = t4495 * t306 * t1239; in func_pol() 3986 t10937 = t4495 * t10936; in func_pol() 4605 t15473 = t4495 * t15453; in func_pol()
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H A D | gga_c_bmk.c | 1487 double t4495, t4497, t4499, t4501, t4503, t4504, t4505, t4507; in func_pol() local 4032 t4495 = t4169 * t608; in func_pol() 4036 …1 * t4490 - 0.96494049533612093922e2 * t4493 + 0.10000000000000000000e1 * t4495 + 0.16082341588935… in func_pol() 5916 …t11385 = 0.20000000000000000000e1 * t4495 + 0.32164683177870697974e2 * t4497 + 0.32164683177870697… in func_pol() 6435 …+ t15777) - 0.28948214860083628176e3 * t4493 + 0.30000000000000000000e1 * t4495 + 0.48247024766806… in func_pol()
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H A D | gga_x_sfat_pbe.c | 3387 double t4473, t4474, t4478, t4482, t4483, t4487, t4491, t4495; in func_pol() local 5699 t4495 = t682 * t712; in func_pol() 5746 t4668 = t4495 * t4667; in func_pol() 5799 …6295851805e-1 * t473 * t4491 * t1705 - 0.29855588409701294789e-4 * t473 * t4495 * t4474 + 0.136633… in func_pol() 7255 …9e-1 * t511 * t11636 * t656 * t1793 - 0.39807451212935059718e-3 * t1802 * t4495 * t2124 * t12062 +… in func_pol()
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H A D | gga_c_pbe_vwn.c | 2076 double t4478, t4482, t4488, t4490, t4494, t4495, t4497, t4498; in func_pol() local 4615 t4495 = t4494 * t411; in func_pol() 4622 …* t4498 + 0.2e1 * t1402 * t3920 * t4504 + 0.3e1 * t1356 * t4447 - t1402 * t4495 - t1402 * t4502 - … in func_pol() 6472 t13426 = t110 * t4495; in func_pol()
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H A D | gga_c_zpbeint.c | 2001 double t4495, t4496, t4497, t4498, t4499, t4500, t4502, t4504; in func_pol() local 5112 t4495 = t1408 * t1459; in func_pol() 5113 t4496 = t291 * t4495; in func_pol() 7886 …t14476 = 0.4e1 * t4421 * t14177 * t4423 - 0.2e1 * t2364 * t4495 + 0.12e2 * t2364 * t14183 - 0.2e1 … in func_pol() 8097 …* t4586 + 0.6e1 * t2364 * t4841 + 0.6e1 * t2364 * t4832 - 0.2e1 * t2565 * t4495 - 0.2e1 * t2565 * … in func_pol()
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H A D | gga_c_optc.c | 2439 double t4478, t4483, t4486, t4487, t4491, t4495, t4496, t4497; in func_pol() local 6374 t4495 = t349 * sigma[2]; in func_pol() 6375 t4496 = t393 * t4495; in func_pol() 10067 t13659 = t4495 * t4499; in func_pol() 10101 t13747 = t994 * t4495; in func_pol() 10508 t15026 = t1280 * t4495; in func_pol() 16538 … - 0.50e2 / 0.9e1 * t40774 * t3710 + 0.10000e5 / 0.81e2 * t2028 * t2708 * t4495 * t4499 * t4504 - … in func_pol() 17326 …t45939 = -0.50e2 / 0.81e2 * t45904 + t45907 / 0.36e2 + 0.10000e5 / 0.27e2 * t2028 * t3763 * t4495 … in func_pol() 17627 t48240 = t13658 * t4495 * t15032 * t8; in func_pol() 18118 …8669 + 0.1000e4 / 0.729e3 * t28897 + 0.20000e5 / 0.27e2 * t2028 * t4286 * t4495 * t4499 * t4504 + … in func_pol() [all …]
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H A D | gga_c_pbeloc.c | 2088 double t4494, t4495, t4498, t4500, t4501, t4504, t4510, t4512; in func_pol() local 5107 t4495 = t4494 * t317; in func_pol() 5113 …964528730e-1 * t4227 + 0.32898681336964528730e-1 * t4234 - 0.2e1 * t300 * t4495 - t300 * t4498 + 0… in func_pol() 7751 … * t13882 + 0.6e1 * t636 * t4501 - 0.3e1 * t1883 * t1477 - 0.6e1 * t636 * t4495 + 0.98696044010893… in func_pol() 8302 …8482264365e-1 * t15668 - t14453 - 0.2e1 * t2606 * t1477 - 0.2e1 * t1012 * t4495 + 0.2e1 * t296 * t… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_x_erf.c | 569 double t4486, t4487, t4491, t4493, t4495, t4497, t4500, t4502; in func_pol() local 2242 t4495 = t168 * t1614; in func_pol() 2243 t4497 = t174 * t4495 * t1616; in func_pol() 2518 t5941 = t174 * t4495 * t2380; in func_pol() 2697 t6919 = t174 * t4495 * t2743; in func_pol() 2941 t8797 = t174 * t4495 * t3643; in func_pol()
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H A D | lda_c_ml1.c | 448 double t4493, t4495, t4497, t4498, t4500, t4501, t4503, t4505; in func_pol() local 2348 t4495 = t294 * t4184; in func_pol() 2361 …0 * t4490 - 0.20328002282081057516e1 * t4493 + 0.60984006846243172547e1 * t4495 + 0.10164001141040… in func_pol() 2479 …0 * t4490 - 0.73567699179048815040e0 * t4493 + 0.22070309753714644512e1 * t4495 + 0.36783849589524… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | hyb_mgga_xc_wb97mv.c | 8338 t4495 = t1307 * t839; in func_pol() 12686 t15228 = t1967 * t4495; in func_pol() 13031 t16279 = t2911 * t4495; in func_pol() 14096 t19250 = t4533 * t4495; in func_pol() 14113 t19301 = t4636 * t4495; in func_pol() 14118 t19323 = t4629 * t4495; in func_pol() 19826 t52304 = t6597 * t4495; in func_pol() 19836 t52342 = t6518 * t4495; in func_pol() 21757 t64431 = t4140 * t4495; in func_pol() 22422 t68659 = t4495 * t4479; in func_pol() [all …]
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H A D | mgga_x_m08.c | 2822 double t4480, t4481, t4494, t4495, t4498, t4507, t4508, t4511; in func_pol() local 4564 t4495 = t4494 * t942; in func_pol() 4565 … * t4471 - 0.30250e5 / 0.3e1 * t1078 * t4456 - 0.12100e5 * t365 * t4481 - 0.1400e4 * t2823 * t4495; in func_pol() 4576 ….2100e4 * t329 * t4446 + 0.420e3 * t76 * t4528 - 0.2800e4 / 0.3e1 * t76 * t4495 + 0.420e3 * t1003 … in func_pol() 4583 …e1 * t2912 * t4522 - 0.2450e4 * t1003 * t4446 - 0.9800e4 / 0.3e1 * t337 * t4495 + 0.560e3 * t82 * … in func_pol() 4589 …t4621 = -0.11200e5 / 0.3e1 * t1012 * t4495 - 0.4800e4 * t344 * t4467 + 0.720e3 * t88 * t4438 - 0.2… in func_pol() 4597 … + 0.720e3 * t1238 * t4434 + 0.1620e4 * t423 * t4438 - 0.1400e4 * t3202 * t4495 - 0.5400e4 * t1238… in func_pol() 4598 …t4495 - 0.1400e4 * t136 * t4467 + 0.560e3 * t1231 * t4528 + 0.1280e4 * t418 * t4434 - 0.2800e4 / 0… in func_pol() 4600 …100e4 * t407 * t4446 + 0.420e3 * t133 * t4528 - 0.2800e4 / 0.3e1 * t133 * t4495 + 0.420e3 * t1224 … in func_pol()
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H A D | mgga_x_pkzb.c | 1184 double t4441, t4443, t4444, t4455, t4456, t4470, t4493, t4495; in func_pol() local 3365 t4495 = t249 * t170; in func_pol() 3367 …0.21576757201646090535e-3 * t3208 * t4183 * t4495 * t114 - 0.12946054320987654321e-2 * t1515 * t40… in func_pol()
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H A D | mgga_x_rtpss.c | 3094 double t4492, t4495, t4500, t4503, t4506, t4509, t4512, t4513; in func_pol() local 5501 t4495 = t568 * t1592; in func_pol() 5502 …592 - 0.73e2 / 0.259200e6 * t2448 * t4492 + 0.73e2 / 0.129600e6 * t1023 * t4495 + t101 * t4470 / 0… in func_pol() 7162 …t4495 * t426 - t4461 * t384 / 0.9e1 - 0.73e2 / 0.97200e5 * t11306 * t190 - 0.73e2 / 0.64800e5 * t9… in func_pol() 7820 …t1592 - 0.73e2 / 0.64800e5 * t7435 * t4492 + 0.73e2 / 0.32400e5 * t2969 * t4495 + 0.73e2 / 0.10368… in func_pol() 7954 …t4495 - 0.73e2 / 0.64800e5 * t11979 * t568 - 0.73e2 / 0.64800e5 * t4018 * t1592 + t4634 * t540 / 0… in func_pol()
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H A D | mgga_x_mvsb.c | 2497 double t4465, t4468, t4478, t4487, t4491, t4494, t4495, t4498; in func_pol() local 5359 t4495 = t4494 * t211; in func_pol() 5368 …1327104e7 * t1214 * t4487 * t1519 - t4491 / 0.9216e4 - 0.5e1 / 0.7776e4 * t4495 - t4499 / 0.576e3 … in func_pol() 5497 … * t197 + 0.5e1 / 0.2e1 * t5112 - t4491 / 0.36864e5 - 0.5e1 / 0.10368e5 * t4495 - t4499 / 0.2304e4… in func_pol() 5552 ….2e1 / 0.3e1 * t422 * t1850 * t1938 - t5410 / 0.9e1 - 0.5e1 / 0.15552e5 * t4495 - 0.19e2 / 0.31104… in func_pol() 5614 …e1 / 0.12e2 * t5105 + t5390 / 0.3e1 - t5410 / 0.6e1 - 0.5e1 / 0.31104e5 * t4495 - t5787 / 0.27648e… in func_pol()
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H A D | mgga_c_b88.c | 2711 double t4494, t4495, t4496, t4498, t4499, t4501, t4502, t4504; in func_pol() local 6073 t4495 = t626 * t4494; in func_pol() 6074 t4496 = t4495 * t109; in func_pol() 8760 …913080888888888890e-2 * t2309 * t474 * t217 - 0.29826161777777777780e-2 * t4495 * t250 - 0.2319812… in func_pol() 9456 …+ 0.29826161777777777781e-2 * t1475 * t1175 - 0.14913080888888888890e-2 * t4495 * t419 + 0.9942053… in func_pol()
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H A D | mgga_x_scan.c | 3255 double t4465, t4468, t4469, t4471, t4472, t4479, t4480, t4495; in func_pol() local 6051 t4495 = t1107 * t554; in func_pol() 6064 …t460 - 0.2e1 * t220 * t538 * t1146 + 0.2e1 * t644 * t1677 * t264 - t220 * t4495 - t220 * t4497 - t… in func_pol() 7989 ….4e1 * t220 * t3647 * t460 - 0.2e1 * t220 * t3671 * t460 + 0.4e1 * t644 * t4495 * t264 + 0.4e1 * t… in func_pol()
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H A D | mgga_x_m06l.c | 1474 double t4466, t4470, t4478, t4486, t4495, t4497, t4501, t4509; in func_ferr() local 2587 …t4495 = -0.3200e4 * t181 * t4466 - 0.7000e4 * t188 * t4470 - 0.13440e5 * t195 * t4478 - 0.23520e5 … in func_ferr() 2598 …8676191e-1 * t151 * t155 * t2354 + t26 * (t4390 + t4413 + t4437 + t4462 + t4495 + t4528 + t4556 + … in func_ferr()
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H A D | mgga_c_kcis.c | 2858 double t4469, t4495, t4520, t4552, t4554, t4567, t4568, t4577; in func_ferr() local 4176 t4495 = sigma[0] * t1526; in func_ferr() 4177 …000000000000e-1 * t277 * t391 * t1325 + 0.97125000000000000000e1 * t142 * t4495 - 0.56250000000000… in func_ferr() 4216 … 0.8e1 - t396 * t1861 / 0.2e1 - t372 * t4813 - 0.30351562500000000000e0 * t4495 * t153 * t977 + 0.… in func_ferr() 4717 double t4486, t4487, t4488, t4491, t4492, t4495, t4499, t4501; in func_pol() local 9737 t4495 = t909 * t315; in func_pol() 9782 …t4591 = -0.15466404496e-1 * t4495 * t1456 - 0.15466404496e-1 * t998 * t4515 + 0.985564450000000000… in func_pol() 12230 …e2 * t3333 * t3396 - 0.15466404496e-1 * t998 * t9187 - 0.46399213488e-1 * t4495 * t3360 + 0.120000… in func_pol() 14242 …3 - 0.49745600000000000002e0 * t4601 * t1465 * t3390 - 0.30932808992e-1 * t4495 * t4515 - 0.154664… in func_pol() 15103 … t14010 + t14012 - 0.30932808992e-1 * t16822 * t4515 - 0.15466404496e-1 * t4495 * t5607 - 0.154664… in func_pol() [all …]
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H A D | mgga_x_regtpss.c | 260 double t4476, t4478, t4483, t4485, t4489, t4493, t4495, t4498; in func_unpol() local 2443 t4495 = t154 * t935; in func_unpol() 2449 …t4521 = (0.27562962421875000000e-1 * t3407 * t4495 - 0.51680554541015625000e-2 * t1526 * t4498 + 0… in func_unpol() 4161 …226851513671875000e-2 * t152 * t3837 + 0.16537777453125000000e0 * t4233 * t4495 + 0.96901039764404… in func_unpol() 4538 double t4495, t4500, t4502, t4503, t4504, t4506, t4507, t4508; in func_ferr() local 6588 t4495 = t569 * t4494; in func_ferr() 6596 …8 - 0.83936149691358024694e0 * t4490 * t3950 - 0.30435597612043467080e1 * t4495 - 0.65607139044732… in func_ferr() 8011 …83950617283951e2 * t541 * t259 * t418 * t560 - 0.12174239044817386832e3 * t4495 + 0.37304955418381… in func_ferr()
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