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Searched refs:t4829 (Results 1 – 25 of 56) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F353 t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, & local
2156 t4829 = t233*t4713
2157 t4830 = t974*t4829
2377 t5443 = 0.960e2_dp*t1597*t3608*t4829
2419 t5545 = 0.480e2_dp*t1616*t3750*t4829
3132 t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, t4837, & local
4932 t4829 = t233*t4713
4933 t4830 = t974*t4829
5153 t5443 = 0.960e2_dp*t1597*t3608*t4829
5195 t5545 = 0.480e2_dp*t1616*t3750*t4829
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F353 t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, & local
2156 t4829 = t233*t4713
2157 t4830 = t974*t4829
2377 t5443 = 0.960e2_dp*t1597*t3608*t4829
2419 t5545 = 0.480e2_dp*t1616*t3750*t4829
3132 t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, t4837, & local
4932 t4829 = t233*t4713
4933 t4830 = t974*t4829
5153 t5443 = 0.960e2_dp*t1597*t3608*t4829
5195 t5545 = 0.480e2_dp*t1616*t3750*t4829
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_xc_th1.c615 double t4812, t4814, t4816, t4819, t4821, t4823, t4826, t4829; in func_pol() local
2100 t4829 = 0.12e2 * t629 + 0.12e2 * t3281; in func_pol()
2101 t4831 = t80 * t161 * t4829; in func_pol()
2106 t4845 = -t4829; in func_pol()
2109 …4e2 / 0.9e1 * t330 * t2225 + 0.4e1 / 0.3e1 * t45 * t48 * t4845 + 0.4e1 / 0.3e1 * t33 * t40 * t4829; in func_pol()
H A Dgga_x_pbetrans.c1382 double t4823, t4829, t4830, t4842, t4857, t4867, t4932, t4933; in func_pol() local
2891 t4829 = t4033 * t771 / 0.6e1; in func_pol()
2894 …v4rho2sigma2[5] = -t4829 - 0.4e1 / 0.3e1 * t4830 - t209 * t406 * t770 * t363 / 0.6e1 - t209 * t601… in func_pol()
2915 …v4rho2sigma2[11] = -t4829 - 0.2e1 / 0.3e1 * t4830 - 0.2e1 / 0.3e1 * t4857 - t1562 * t361 * t770 * … in func_pol()
2967 …v4rho2sigma2[17] = -t4829 - 0.4e1 / 0.3e1 * t4857 - t4867 - t209 * t406 * t770 * t443 / 0.6e1 - t2… in func_pol()
H A Dgga_c_lyp.c608 double t4804, t4814, t4822, t4825, t4826, t4828, t4829, t4837; in func_pol() local
2400 t4829 = t1571 * t4828; in func_pol()
2402 …t4843 = -0.320e3 / 0.9e1 * t4826 + 0.320e3 / 0.9e1 * t4829 + 0.6e1 * t2078 * t1547 + 0.320e3 / 0.2… in func_pol()
2419 …4 / 0.27e2 * t4792 - 0.2560e4 / 0.27e2 * t4822 - 0.160e3 / 0.3e1 * t4826 + 0.160e3 / 0.3e1 * t4829; in func_pol()
H A Dgga_x_ncap.c2316 double t4826, t4829, t4832, t4834, t4835, t4836, t4839, t4840; in func_pol() local
4189 t4829 = t1675 * t71 * t19 * t22; in func_pol()
4210 …t4922 = 0.64e2 / 0.729e3 * t4826 * t4829 - 0.32e2 / 0.729e3 * t4826 * t4836 + 0.256e3 / 0.243e3 * … in func_pol()
4498 …t6715 = -0.8e1 / 0.243e3 * t6655 * t4829 + 0.4e1 / 0.243e3 * t1272 * t6437 * sigma[2] * t19 * t483… in func_pol()
4805 …3 * t3516 + t488 * t8740 * t697 / 0.2e1 + t1289 * t8771 * t1859 - t8774 * t4829 / 0.216e3 + t8774 … in func_pol()
4916 …0.16e2 * t9559 * t3253 + 0.15e2 / 0.8e1 * t1289 * t9587 * t1859 + t9588 * t4829 / 0.576e3 - t9588 … in func_pol()
H A Dgga_c_pbe_vwn.c2092 double t4818, t4821, t4825, t4826, t4829, t4833, t4837, t4840; in func_pol() local
4793 t4829 = t4748 * t4825; in func_pol()
4794 t4833 = -t4778 / 0.64e2 + 0.6e1 * t4826 * t4740 - 0.6e1 * t4747 * t4829 + t4787 / 0.64e2; in func_pol()
6872 … - 0.18e2 * t15558 * t15232 - 0.12e2 * t15558 * t15235 - 0.6e1 * t15239 * t4829 + 0.24e2 * t4747 *… in func_pol()
6946 … - 0.18e2 * t15558 * t15642 - 0.12e2 * t15558 * t15645 - 0.6e1 * t15649 * t4829 + 0.24e2 * t4747 *… in func_pol()
H A Dhyb_gga_xc_wb97.c2032 double t4829, t4832, t4834, t4835, t4836, t4838, t4840, t4842; in func_pol() local
5237 t4829 = 0.1e1 / t218 / t227 / 0.4e1; in func_pol()
5282 …t4906 = -0.15779062500000000000e0 * t4823 * t4824 + 0.26472937500000000000e1 * t4829 * t4824 + 0.3… in func_pol()
6132 t6811 = t4829 * t1067; in func_pol()
6925 t8709 = t4829 * t3116; in func_pol()
7655 …t10582 = 0.26472937500000000000e1 * t4829 * t10526 + 0.35297250000000000000e1 * t670 * t10559 + 0.… in func_pol()
9068 …* t14547 + 0.41318000000000000000e1 * t14555 + 0.15883762500000000000e2 * t4829 * t1964 * t1972 - … in func_pol()
9779 …t18065 = -0.52945875000000000000e1 * t1963 * t6833 * t672 + 0.79418812500000000000e1 * t4829 * t26… in func_pol()
10626 …82343750000000000e1 * t14648 * t3116 * t1964 + 0.26472937500000000000e1 * t4829 * t3135 * t1964 + … in func_pol()
H A Dgga_c_sogga11.c166 double t4800, t4801, t4810, t4811, t4814, t4829, t4839, t4854; in func_unpol() local
1329 t4829 = t4792 * t1755; in func_unpol()
1333 …759674393e-1 * t1970 * t1764 - 0.64083565843149480379e-2 * t976 * t1912 * t4829 - 0.20991341174639… in func_unpol()
1337 …574740190e-3 * t1922 * t4793 - 0.25633426337259792152e-2 * t899 * t1912 * t4829 - 0.83965364698558… in func_unpol()
3066 double t4817, t4819, t4821, t4823, t4825, t4827, t4829, t4831; in func_pol() local
6207 t4829 = t1329 * t1248; in func_pol()
6211 …* t4825 + 0.83407901500000000000e-2 * t4827 + 0.41703950750000000000e-2 * t4829 - 0.16681580300000… in func_pol()
6274 …* t4825 + 0.16681580299999999999e-1 * t4827 + 0.83407901499999999996e-2 * t4829 - 0.33363160599999… in func_pol()
H A Dgga_c_op_b88.c867 double t4829, t4830, t4831, t4832, t4833, t4835, t4844, t4850; in func_pol() local
2971 t4829 = t4423 * t420; in func_pol()
2972 t4830 = 0.10803461400000000000e2 * t4829; in func_pol()
3058 …9 + 0.20000000000000000000e1 * t5251 + t5205 - 0.14404615200000000000e2 * t4829 - 0.72023076000000… in func_pol()
H A Dgga_x_sfat_pbe.c1756 double t4829, t4833, t4837, t4841, t4845, t4849, t4853, t4857; in func_ferr() local
2972 t4829 = t1722 * t889; in func_ferr()
2983 …511e-8 * t2445 * t4825 * t106 + 0.78210813359166533012e-6 * t74 * t2116 * t4829 - 0.31215353753505… in func_ferr()
2994 …22235494357472797e-8 * t174 * t2395 * t1639 - 0.35194866011624939857e-5 * t4829 * t2242 * t219 + 0… in func_ferr()
3011 …2270 * t3852 * t4984 * t106 - 0.70389732023249879712e-5 * t2246 * t2116 * t4829 * t197 - 0.2177846… in func_ferr()
H A Dgga_c_hcth_a.c1585 double t4818, t4822, t4824, t4825, t4826, t4829, t4830, t4837; in func_pol() local
4290 t4829 = 0.8e1 * t1890 * t578; in func_pol()
4292 …t4837 = -t3799 + t4829 - 0.8e1 * t4830 + t3641 + t3643 - t3800 / 0.24e2 - t3803 / 0.24e2 - t3830 /… in func_pol()
4550 …t5437 = -t3589 - t5425 - t5426 / 0.2e1 - t4939 / 0.2e1 + t3790 + t4825 - t4826 - t3799 - t4829 - 0… in func_pol()
H A Dgga_c_zpbeint.c2022 double t4822, t4823, t4824, t4825, t4826, t4827, t4828, t4829; in func_pol() local
5296 t4829 = t395 * t4586; in func_pol()
5297 t4830 = 0.2e1 * t4829; in func_pol()
8200 …t16524 = 0.6e1 * t4827 + 0.6e1 * t4829 + 0.3e1 * t4831 + 0.18e2 * t4833 + 0.9e1 * t4836 - 0.3e1 * … in func_pol()
H A Dgga_x_hjs.c204 double t4812, t4816, t4829, t4833, t4840, t4855, t4872, t4875; in func_unpol() local
1699 t4829 = t288 * t977; in func_unpol()
1702 …573 - 0.525e3 / 0.2e1 * t4581 + 0.50e2 * t4587 - 0.700e3 / 0.9e1 * t442 * t4829 * t789 - 0.175e3 /… in func_unpol()
1803 …t5806 = -0.350e3 / 0.9e1 * t442 * t4829 * t1257 + 0.175e3 / 0.6e1 * t442 * t2056 * t2692 - 0.35e2 … in func_unpol()
1954 …* t3049 + 0.5e1 / 0.6e1 * t442 * t446 * t6925 - 0.350e3 / 0.27e2 * t442 * t4829 * t1463 - 0.35e2 /… in func_unpol()
2395 double t4771, t4778, t4792, t4793, t4799, t4813, t4817, t4829; in func_ferr() local
3868 …t4829 = -t203 * (-0.9e1 / 0.4e1 * t4778 * t4625 + 0.27e2 / 0.5e1 * t2098 * t666 * t768 - 0.9e1 / 0… in func_ferr()
3879 …t4895 = 0.26366444444444444444e-1 * t181 * (t4759 + t4771) * t194 - (t4829 + t4859) * t232 * t234 … in func_ferr()
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_x_erf.c576 double t4773, t4776, t4782, t4797, t4800, t4819, t4822, t4829; in func_pol() local
2301 t4829 = t115 * t718 * t121; in func_pol()
2302 …334 + t4819 / 0.27e2 + t4822 / 0.18e2 - t115 * t379 * t72 * t4343 / 0.8e1 - 0.5e1 / 0.27e2 * t4829; in func_pol()
2624 …1359 * t203 / 0.4e1 + t4819 / 0.108e3 + t4822 / 0.36e2 - 0.5e1 / 0.36e2 * t4829 - 0.3e1 / 0.8e1 * … in func_pol()
2886 ….108e3 - t115 * t1654 * t276 / 0.6e1 + t4822 / 0.108e3 - 0.5e1 / 0.54e2 * t4829 + t4840 / 0.108e3 … in func_pol()
3048 …66 * t275 - 0.3e1 / 0.4e1 * t115 * t718 * t1133 * t10 - 0.5e1 / 0.108e3 * t4829 + t115 * t768 * t1… in func_pol()
H A Dlda_c_vwn_3.c946 double t4820, t4821, t4828, t4829, t4831, t4833, t4835, t4838; in func_pol() local
2824 t4829 = t4828 / 0.8e1; in func_pol()
2829 …* t2739 - t2741 / 0.4e1 - 0.3e1 / 0.8e1 * t2743 - t2747 - t2748 / 0.4e1 - t4829 - t2750 / 0.8e1 - … in func_pol()
3091 …t5867 = -t5361 / 0.4e1 - t2739 / 0.8e1 - t2743 / 0.8e1 - t2747 - t4829 - t2750 / 0.24e2 - 0.3e1 / … in func_pol()
H A Dlda_c_pk09.c2521 double t4809, t4815, t4822, t4828, t4829, t4830, t4836, t4838; in func_pol() local
4959 t4829 = t290 * t4828; in func_pol()
4960 t4830 = t4829 * t64; in func_pol()
5304 …516 * t296 / 0.3e1 - t1529 * t1516 * t296 / 0.3e1 - t289 * t4829 * t296 / 0.6e1 - t303 * t4829 * t… in func_pol()
5380 …5 * t6015 / 0.6e1 - t299 * (t6030 + t6044) * t291 * t296 / 0.6e1 + t312 * t4829 * t296 / 0.6e1 + 0… in func_pol()
H A Dlda_c_ml1.c459 double t4784, t4790, t4799, t4812, t4815, t4818, t4829, t4832; in func_pol() local
2441 t4829 = t89 * t1152 * t1202; in func_pol()
2443 …72580200000000e2 * t89 * t1147 * t68 * t1148 + 0.28998224193400000000e2 * t4829 + 0.96660747311333… in func_pol()
3049 …1 * t4815 - 0.36247780241750000001e1 * t4818 + 0.72495560483500000001e1 * t4829 + 0.24165186827833… in func_pol()
H A Dlda_xc_ksdt.c2456 double t4817, t4819, t4820, t4823, t4824, t4825, t4828, t4829; in func_pol() local
6362 t4829 = t42 * t4828; in func_pol()
6378 … t597 * t4820 + 0.16e2 / 0.81e2 * t597 * t4825 + 0.16e2 / 0.81e2 * t597 * t4829 - t4835 + 0.11264e… in func_pol()
6413 … t614 * t4820 + 0.16e2 / 0.81e2 * t614 * t4825 + 0.16e2 / 0.81e2 * t614 * t4829 - t4929 + 0.11264e… in func_pol()
6469 … t563 * t4820 + 0.16e2 / 0.81e2 * t563 * t4825 + 0.16e2 / 0.81e2 * t563 * t4829 - t5047 + 0.11264e… in func_pol()
6541 … t544 * t4820 + 0.16e2 / 0.81e2 * t544 * t4825 + 0.16e2 / 0.81e2 * t544 * t4829 - t5203 + 0.11264e… in func_pol()
6886 t5891 = t39 * t4829; in func_pol()
6917 … t482 * t4820 + 0.16e2 / 0.81e2 * t482 * t4825 + 0.16e2 / 0.81e2 * t482 * t4829 - t5958 + 0.11264e… in func_pol()
7033 … t501 * t4820 + 0.16e2 / 0.81e2 * t501 * t4825 + 0.16e2 / 0.81e2 * t501 * t4829 - t6221 + 0.11264e… in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_revtm.c4780 double t4826, t4827, t4829, t4831, t4832, t4833, t4834, t4836; in func_pol() local
7074 t4829 = t541 * t1348; in func_pol()
7077 t4833 = 0.4e1 * t4823 + t4826 + t1847 + 0.18e2 * t4827 + 0.36e2 * t4829 + t4832 + t1851; in func_pol()
7127 …959 - 0.24e2 * t4962 * t1351 + 0.108e3 * t4965 * t1366 - 0.24e2 * t1372 * t4829 - t4971 + t4975 - … in func_pol()
7137 …9 * t543 + 0.6e1 * t4988 * t365 + 0.12e2 * t372 * t4827 + 0.24e2 * t372 * t4829 + t1896 - t4834 + … in func_pol()
9062 …60 + 0.216e3 * t4979 * t3860 + 0.108e3 * t4979 * t3863 - 0.48e2 * t3878 * t4829 + 0.216e3 * t3881 … in func_pol()
9089 …t13367 = 0.48e2 * t1022 * t4829 + 0.24e2 * t1022 * t4831 - 0.1080e4 * t1029 * t13064 - 0.108e3 * t… in func_pol()
9721 …6 + 0.324e3 * t17473 * t1366 + 0.162e3 * t3884 * t6511 - 0.72e2 * t4962 * t4829 - 0.36e2 * t4976 *… in func_pol()
9742 …t17730 = -0.36e2 * t1372 * t17497 - 0.36e2 * t1372 * t17499 - 0.72e2 * t4976 * t4829 + 0.972e3 * t… in func_pol()
9982 …t598 - 0.62888224691358024691e-1 * t4834 * t159 * t673 - 0.24e2 * t5568 * t4829 - 0.24e2 * t13075 … in func_pol()
[all …]
H A Dmgga_x_edmgga.c1792 double t4829, t4837, t4840, t4845, t4849, t4851, t4862, t4876; in func_ferr() local
2884 t4829 = t462 * t127; in func_ferr()
2890 …94700e0 * t826 * t1233 * t1208 - 0.24923243437094339946e1 * t830 * t301 * t4829 + 0.53114609167735… in func_ferr()
3127 t7352 = t1256 * t4829; in func_ferr()
3140 …t4829 - 0.15243447427901234238e2 * t256 * t357 * t7367 - 0.11432585570925925678e2 * t731 * t561 * … in func_ferr()
3151 …34238e2 * t256 * t397 * t4829 + 0.10622921833547194700e0 * t826 * t1330 * t1212 + 0.10622921833547… in func_ferr()
H A Dmgga_c_bc95.c2333 double t4829, t4830, t4831, t4832, t4835, t4839, t4841, t4843; in func_pol() local
5879 …t4829 = -t2325 + 0.41318000000000000000e1 * t4245 - 0.34431666666666666667e0 * t4252 + 0.103295000… in func_pol()
5880 t4830 = t229 * t4829; in func_pol()
8968 t12153 = t4829 * t836; in func_pol()
9027 t12505 = t4829 * t253; in func_pol()
9789 …667e1 * t4132 * t5494 - 0.16666666666666666667e1 * t1281 * t1258 * t271 * t4829 + 0.26803299164487… in func_pol()
H A Dmgga_c_vsxc.c3322 double t4823, t4825, t4827, t4829, t4831, t4833, t4835, t4837; in func_pol() local
6829 t4829 = t4440 * t131; in func_pol()
6841 …* t4825 + 0.15545350000000000000e-1 * t4827 + 0.15545350000000000000e-1 * t4829 + 0.31090700000000… in func_pol()
11462 …t17170 = -0.38863375000000000000e-2 * t4829 * t686 - 0.77726750000000000000e-2 * t4831 * t686 + 0.… in func_pol()
12203 …t23209 = t251 * (t23138 + t23181) + 0.19431687500000000000e-2 * t4829 * t808 + 0.38863375000000000… in func_pol()
12503 … - 0.19431687500000000000e-2 * t4833 * t902 - 0.19431687500000000000e-2 * t4829 * t902 + 0.1608197… in func_pol()
H A Dmgga_x_ms.c2914 double t4766, t4769, t4781, t4798, t4803, t4808, t4813, t4829; in func_pol() local
5565 …t4829 = t4386 / 0.2e1 - 0.2e1 * t8 * t198 * t1709 * t216 - 0.2e1 * t8 * t198 * t266 * t1731 - t8 *… in func_pol()
5610 …t5125 = t10 * (t4829 + t5115) - t4105 + 0.4e1 / 0.3e1 * t1455 - 0.3e1 / 0.2e1 * t1711 - t4123 - 0.… in func_pol()
H A Dmgga_x_br89_explicit.c7318 double t4829, t4830, t4833, t4834, t4837, t4840, t4842, t4843; in func_ferr() local
9437 t4829 = t1859 * t1428; in func_ferr()
9438 t4830 = t4829 * t156; in func_ferr()
9942 t6634 = t4829 * t225; in func_ferr()
11557 …16472 - 0.2e1 * t147 * t4783 + 0.4e1 * t62 * t808 * t2749 - 0.6e1 * t62 * t4829 * t503 + 0.2e1 * t… in func_ferr()
13919 double t4829, t4847, t4848, t4850, t4851, t4852, t4853, t4854; in func_pol() local
18594 t4829 = t1194 * t115; in func_pol()
22589 …56 * t12125 + 0.4e1 * t156 * t12128 - 0.10468511906653021802e-2 * t3257 * t4829 + 0.34895039688843… in func_pol()
23529 …054173376914933686e0 * t751 * t8446 - 0.37686642863950878489e-1 * t3681 * t4829 - t371 * t3708 - 0… in func_pol()
28719 …6031751074724806e-2 * t9332 * t9337 + 0.27916031751074724806e-2 * t9332 * t4829 + 0.26821669350765… in func_pol()
[all …]

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