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Searched refs:t5822 (Results 1 – 25 of 49) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_c_regtpss.c2552 double t5822, t5825, t5826, t5830, t5833, t5834, t5840, t5841; in func_pol() local
6052 t5822 = t1602 * t5821; in func_pol()
6058 …t5840 = t5608 - t5609 - 0.56468933516960933999e-3 * t5741 + 0.57119737665102352616e0 * t5822 * t16… in func_pol()
9932 …t20898 = -0.17135921299530705785e1 * t5822 * t5615 - 0.17135921299530705785e1 * t1629 * t5502 * t5… in func_pol()
9939 …4620e0 * t5620 * t1546 + 0.57119737665102352616e0 * t5822 * t5602 + 0.57119737665102352616e0 * t58… in func_pol()
9973 …0004 + t20005 - t20006 - 0.17135921299530705785e1 * t5822 * t5690 + 0.11423947533020470523e1 * t58… in func_pol()
10053 …70e1 * t5822 * t5757 + 0.86736281882051994620e0 * t5484 * t21522 - 0.66934509195437693770e-4 * t20… in func_pol()
10057 …t21562 = -0.22847895066040941046e1 * t5822 * t5762 + t19429 - 0.52041769129231196772e1 * t1597 * t… in func_pol()
10083 …523e1 * t5822 * t5826 + 0.11423947533020470523e1 * t5822 * t5834 - t19871 + 0.50779446784275991476… in func_pol()
10092 … - 0.17347256376410398924e1 * t5677 * t21517 - 0.22847895066040941046e1 * t5822 * t5880 + 0.346945… in func_pol()
[all …]
H A Dgga_x_ev93.c987 double t5803, t5809, t5815, t5822, t5823, t5830, t5831, t5839; in func_pol() local
2937 t5822 = 0.3e1 / 0.4e1 * t217 * t380 * t1944; in func_pol()
2942 ….2e1 * t170 * t581 * t1809 + t5815 + 0.3e1 * t170 * t171 * t1944 * t172 + t5822 - 0.3e1 * t1576 * … in func_pol()
2976 …t5971 = -t5809 + t5815 + t5822 + 0.9e1 / 0.8e1 * t217 * t5327 * t280 + 0.9e1 / 0.8e1 * t217 * t179… in func_pol()
H A Dgga_c_lyp.c627 double t5809, t5811, t5813, t5815, t5816, t5817, t5821, t5822; in func_pol() local
2559 t5822 = t3260 * t5821; in func_pol()
2560 t5823 = t69 * t5822; in func_pol()
2594 …1 * t43 * t238 * t2268 - 0.3e1 / 0.20e2 * t43 * t13 * (-0.80e2 / 0.81e2 * t5822 + 0.160e3 / 0.9e1 … in func_pol()
H A Dgga_x_n12.c1208 double t5822, t5845, t5871, t5873, t5875, t5885, t5887, t5908; in func_pol() local
3089 t5822 = t2532 * t283; in func_pol()
3090 …2480 + 0.6e1 * t814 * t5810 + 0.12e2 * t814 * t5816 + 0.4e1 * t810 * t5822 + 0.12e2 * t814 * t5822; in func_pol()
3108 …532 - 0.3e1 * t324 * t5973 + 0.12e2 * t819 * t5810 + 0.24e2 * t819 * t5816 + 0.24e2 * t819 * t5822; in func_pol()
H A Dgga_x_hjs.c4673 double t5794, t5798, t5800, t5811, t5819, t5820, t5821, t5822; in func_pol() local
8166 t5822 = t5820 * t5821; in func_pol()
8854 …t7390 * t7392 - 0.94545777777777777778e-1 * t7395 * t590 - 0.4e1 * t997 * t5822 - 0.2e1 / 0.9e1 * … in func_pol()
9923 …t10755 = -0.4e1 * t1372 * t5822 - 0.63279466666666666664e0 * t204 * t10599 + t10604 + 0.20e2 / 0.3… in func_pol()
12084 …6 * t5279 + 0.11345493333333333333e1 * t18219 * t17974 - 0.12e2 * t1820 * t5822 + 0.12e2 * t753 * … in func_pol()
12107 …3e3 * t18256 - 0.21093155555555555556e0 * t5539 * t648 - 0.16e2 * t1834 * t5822 - 0.12e2 * t753 * … in func_pol()
12688 …0733 + 0.12e2 * t997 * t18291 - 0.12e2 * t2621 * t5822 - 0.2e1 / 0.3e1 * t20740 - 0.12e2 * t2612 *… in func_pol()
15075 …16954732510288066e-2 * t32909 - 0.12e2 * t10615 * t1857 - 0.4e1 * t3709 * t5822 - 0.6e1 * t666 * t… in func_pol()
15247 …0.4e1 * t10869 * t3100 - t33853 + 0.2e1 * t4130 * t5416 - 0.4e1 * t4117 * t5822 - 0.52525432098765… in func_pol()
16382 … 0.6e1 * t13810 * t13814 - t11069 * t4725 + 0.40e2 / 0.3e1 * t672 * t13878 - 0.8e1 * t4704 * t5822; in func_pol()
[all …]
H A Dgga_xc_b97.c1910 double t5794, t5822, t5823, t5824, t5825, t5827, t5828, t5829; in func_pol() local
5173 t5822 = t3657 * t2224; in func_pol()
5174 t5823 = t5822 * t345; in func_pol()
7457 t13963 = t5822 * t1173; in func_pol()
7477 t14005 = t5822 * t1184; in func_pol()
7913 t17237 = t5822 * t1; in func_pol()
8093 t19087 = t5822 * t2146; in func_pol()
H A Dgga_x_sfat_pbe.c3449 double t5799, t5805, t5811, t5815, t5822, t5823, t5825, t5829; in func_pol() local
6246 t5822 = t7 * t606 * t187 * t101; in func_pol()
6247 t5823 = t5822 * t2008; in func_pol()
6500 t7040 = t5822 * t2551; in func_pol()
6522 t7195 = t5822 * t2723; in func_pol()
6933 t9932 = t5822 * t3862; in func_pol()
H A Dgga_c_op_g96.c844 double t5819, t5822, t5829, t5831, t5836, t5844, t5846, t5849; in func_pol() local
3243 t5822 = t430 * t1531; in func_pol()
3250 … - 0.36458691403081914030e-3 * t5819 * t163 + 0.97223177074885104079e-3 * t5822 + 0.48611588537442… in func_pol()
3392 …* t5802 - 0.72917382806163828060e-3 * t5817 + 0.32407725691628368027e-3 * t5822 + 0.50000000000000… in func_pol()
H A Dgga_x_gg99.c188 double t5792, t5811, t5813, t5817, t5822, t5835, t5843, t5876; in func_unpol() local
1521 t5822 = t432 * t791; in func_unpol()
1523 … t5822 * t173 + 0.96e2 * t788 * t1770 - 0.288e3 * t788 * t1774 + 0.96e2 * t4756 * t445 + 0.48e2 * … in func_unpol()
1533 …t5822 * t191 / 0.3e1 - 0.2e1 / 0.9e1 * t1830 * t1671 - t1830 * t1667 / 0.9e1 - 0.2e1 / 0.27e2 * t1… in func_unpol()
H A Dgga_c_hcth_a.c1637 double t5791, t5794, t5797, t5803, t5806, t5813, t5822, t5823; in func_pol() local
4710 t5822 = t1975 * t280; in func_pol()
4711 t5823 = t5822 * t282; in func_pol()
6596 …- t2530 * t1966 * t859 / 0.2e1 - 0.15e2 / 0.16e2 * t312 * t13478 - t958 * t5822 * t891 / 0.2e1 - t… in func_pol()
H A Dgga_c_acgga.c2830 double t5813, t5814, t5815, t5817, t5819, t5820, t5822, t5823; in func_pol() local
6755 t5822 = t38 * t38; in func_pol()
6756 t5823 = 0.1e1 / t5822; in func_pol()
6792 t5874 = 0.1e1 / t22 / t5822; in func_pol()
6907 t6044 = 0.1e1 / t8 / t5822; in func_pol()
10205 t21130 = t5822 * t7; in func_pol()
10490 t21781 = t504 / t5822 / t37 * t50 * t354; in func_pol()
H A Dgga_c_gapc.c337 double t5815, t5818, t5821, t5822, t5834, t5837, t5844, t5853; in func_unpol() local
2969 t5822 = t5821 * t199; in func_unpol()
2982 …1083880567492805948e-1 * t683 * t5818 + 0.60000000000000000000e1 * t727 * t5822 * t72 + 0.93706135… in func_unpol()
3186 …9414951e-1 * t35 * t8124 * t94 * t940 - 0.60000000000000000000e1 * t727 * t5822 - 0.41711156550498… in func_unpol()
8638 double t5820, t5822, t5825, t5826, t5829, t5830, t5833, t5834; in func_pol() local
13011 t5822 = t4894 * t162; in func_pol()
13042 …t5893 = -0.57970906942607043474e-5 * t5822 * t176 - 0.17738188908172264431e-3 * t1671 * t5826 + 0.… in func_pol()
17359 …+ 0.14829531371549914146e-2 * t1643 * t5875 + 0.10821235962619981448e-3 * t5822 * t614 - 0.8219254… in func_pol()
19403 t28013 = t5822 * t1010; in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F381 t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & local
2520 t5822 = 0.1800000000e2_dp*t473*t474*t4853
2524 t5831 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
2809 t6611 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
3160 t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & local
5296 t5822 = 0.1800000000e2_dp*t473*t474*t4853
5300 t5831 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
5585 t6611 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F381 t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & local
2520 t5822 = 0.1800000000e2_dp*t473*t474*t4853
2524 t5831 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
2809 t6611 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
3160 t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & local
5296 t5822 = 0.1800000000e2_dp*t473*t474*t4853
5300 t5831 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
5585 t6611 = t5801 - t5804 - t5807 + t5810 - t5813 + t5816 - t5819 - t5822 &
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_x_erf.c600 double t5810, t5812, t5813, t5817, t5821, t5822, t5832, t5841; in func_pol() local
2494 t5822 = t5821 * t51; in func_pol()
2516 …t178 + 0.2e1 / 0.9e1 * t174 * t837 * t166 + t5919 / 0.9e1 - t174 * t182 * t5822 / 0.18e2 + 0.128e3… in func_pol()
2559 …e3 * t5761 + 0.14e2 / 0.27e2 * t5764 + t5768 + t23 * t25 * t26 * (t5899 + t5822 + t6044 / 0.9e1 + … in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_m06l.c2926 double t5795, t5798, t5806, t5809, t5812, t5819, t5822, t5825; in func_pol() local
5551 t5822 = t2441 * t4376; in func_pol()
5555 …t5822 - 0.2200000e7 / 0.9e1 * t358 * t5825 - 0.880000e6 / 0.9e1 * t100 * t5828 - 0.220000e6 / 0.3e… in func_pol()
H A Dmgga_x_mbrxh_bg.c12000 double t5821, t5822, t5823, t5824, t5825, t5826, t5827, t5828; in func_pol() local
18311 t5822 = t5821 * t138; in func_pol()
18312 t5823 = t5822 * t940; in func_pol()
18348 t5859 = t460 * t5822; in func_pol()
18379 t5890 = t475 * t5822; in func_pol()
18673 t6298 = t5822 * t472; in func_pol()
18813 t6426 = t5822 * t996; in func_pol()
20949 t8907 = t5822 * t1410; in func_pol()
26677 t28649 = t1992 * t5822; in func_pol()
26678 t28652 = t1830 * t5822; in func_pol()
[all …]
H A Dmgga_x_mvsb.c2528 double t5789, t5791, t5793, t5802, t5809, t5822, t5836, t5851; in func_pol() local
5615 t5822 = t8 * t1882 * t284; in func_pol()
5617 …b * t442 / 0.7776e4 - t437 * t204 * t2134 * params->b * t442 / 0.1728e4 + t5822 * t1981 / 0.288e3 … in func_pol()
5870 …9e2 / 0.2592e4 * t649 * t294 * t348 * t1953 + t1959 * t2626 / 0.36864e5 - t5822 * t2616 / 0.2304e4… in func_pol()
H A Dmgga_x_tm.c4258 double t5822, t5825, t5833, t5836, t5843, t5844, t5848, t5851; in func_pol() local
6917 t5822 = t5821 * t541; in func_pol()
6918 … t1735 - 0.35217405827160493826e-1 * t552 * t5816 - 0.12e2 * t1335 * t1554 - 0.12e2 * t225 * t5822; in func_pol()
8806 …* t541 - 0.12e2 * t4568 * t1084 - 0.6e1 * t1335 * t4082 - 0.12e2 * t674 * t5822 - 0.12e2 * t1335 *… in func_pol()
9618 …1702 - 0.35010992747705561596e-4 * t33 * t15937 * t444 - 0.36e2 * t1062 * t5822 + 0.25007851962646… in func_pol()
9854 …5155 * t1608 / 0.10e2 + 0.108e3 * t681 * t683 * t20698 - 0.24e2 * t1335 * t5822 + 0.16671901308431… in func_pol()
H A Dmgga_c_vsxc.c3373 double t5801, t5806, t5811, t5816, t5822, t5828, t5829, t5830; in func_pol() local
7241 …t5822 = (-0.8e1 / 0.27e2 * t5801 * t286 + 0.16e2 / 0.9e1 * t1851 * t936 + 0.4e1 / 0.9e1 * t5806 * … in func_pol()
7242 …* t5796 + 0.62181400000000000000e-1 * t5799 + 0.19751673498613801407e-1 * t5822 * t240 + 0.2339289… in func_pol()
7281 t5991 = t5822 * t242; in func_pol()
11474 t17366 = t5822 * t230 * t524; in func_pol()
11483 t17437 = t5822 * t7 * t519; in func_pol()
11515 t17871 = t206 * t5822 * t512; in func_pol()
H A Dmgga_x_vt84.c3503 double t5822, t5825, t5828, t5833, t5852, t5857, t5859, t5865; in func_ferr() local
5424 …t5822 = 0.18171010516689529034e-1 * t5791 * t2264 + 0.36342021033379058067e-1 * t5794 * t469 * t57… in func_ferr()
5533 …6 / 0.2e1 - 0.3e1 / 0.2e1 * t589 * t2335 - 0.3e1 / 0.8e1 * t120 * t121 * (t5822 + t5857 + t5896 + … in func_ferr()
6791 double t5809, t5818, t5819, t5822, t5823, t5824, t5827, t5828; in func_pol() local
9835 t5822 = t502 * t2242; in func_pol()
9843 …454894154e0 * t3568 * t2189 - 0.20697916666666666666e-1 * t3316 * t5819 - t5822 - 0.6e1 * t1671 * … in func_pol()
13798 …1681 - 0.2e1 * t2409 * t1657 * t781 + 0.30180600000000000000e-2 * t1954 * t5822 - 0.2e1 * t8270 * … in func_pol()
H A Dmgga_c_b88.c2823 double t5822, t5823, t5824, t5825, t5826, t5827, t5829, t5830; in func_pol() local
7052 t5822 = 0.93206755555555555565e-4 * t5821; in func_pol()
7057 …02 - t5804 + t5806 + t5808 + t5810 - t5812 + t5814 - t5816 + t5818 + t5820 - t5822 + t5824 - t5826; in func_pol()
9455 t19026 = -t5842 - t5804 - t5812 + t5840 - t5846 - t5822 - t5826 + t5790 + t5800 + t5802 + t5806; in func_pol()
H A Dmgga_xc_b97mv.c3912 double t5811, t5816, t5818, t5819, t5821, t5822, t5824, t5825; in func_pol() local
7964 t5822 = t5821 * t1890; in func_pol()
8034 …t5927 = t5819 - 0.7e1 / 0.16e2 * t5822 - t5825 - t5827 + 0.7e1 / 0.16e2 * t5828 - t5833 - t5836 / … in func_pol()
8476 …00e1 * t7057 + 0.10345202583854680060e4 * t7061 - 0.20000000000000000000e1 * t7063 + t5822 / 0.8e1; in func_pol()
12127 ….32e2 * t5548 - 0.3e1 / 0.8e1 * t5552 + 0.3e1 * t5819 - 0.21e2 / 0.16e2 * t5822 - t17331 - t17332 … in func_pol()
13184 …5167709360120e4 * t7061 - 0.40000000000000000000e1 * t7063 - 0.5e1 / 0.8e1 * t5822 - t5824 / 0.4e1; in func_pol()
13547 …e1 * t7063 + t7945 + t7947 + t7949 + t7951 + t7953 + t7956 + t7958 + t7960 + 0.3e1 / 0.8e1 * t5822; in func_pol()
H A Dmgga_c_m06l.c3363 double t5673, t5680, t5719, t5758, t5786, t5800, t5822, t5831; in func_ferr() local
5193 t5822 = t3188 * t93 * t421; in func_ferr()
5194 …79 - 0.480e3 * t3222 * t2490 + 0.96e2 * t3193 * t5822 - 0.192e3 * t1057 * t5267 + 0.480e3 * t3199 … in func_ferr()
5196 …t5859 = -0.240e3 * t4812 * t2081 + 0.1440e4 * t3187 * t5822 + 0.48e2 * t2036 * t2065 - 0.240e3 * t… in func_ferr()
5774 double t5816, t5819, t5822, t5823, t5824, t5825, t5826, t5827; in func_pol() local
10533 …t5822 = 0.20659000000000000000e1 * t5310 - 0.30988500000000000000e1 * t5319 - 0.347316666666666666… in func_pol()
10534 t5823 = t5788 + t5822; in func_pol()
H A Dmgga_x_br89_explicit.c259 double t5800, t5805, t5806, t5813, t5816, t5818, t5819, t5822; in func_unpol() local
2729 t5822 = t2523 * t5761; in func_unpol()
5127 …t19596 = 0.8e1 * t2520 * t5822 + 0.6e1 * t734 * t9995 * t5761 + 0.8e1 / 0.3e1 * t7 * t5796 - 0.2e1… in func_unpol()
13991 double t5817, t5822, t5825, t5828, t5833, t5834, t5837, t5838; in func_pol() local
19198 t5822 = t4643 * t493; in func_pol()
21635 …358848441212981090e0 * t1904 * t5834 - 0.36358848441212981090e0 * t1904 * t5822 - 0.36358848441212… in func_pol()
22109 …815309064727788654e1 * t8191 * t1576 - 0.21815309064727788654e1 * t2268 * t5822 - 0.21815309064727… in func_pol()
26919 …89185438836673192e2 * t1136 * t25395 + 0.13089185438836673192e2 * t4622 * t5822 + 0.13089185438836… in func_pol()
29352 …159488196094658262e1 * t1528 * t1544 + 0.12119616147070993697e1 * t7006 * t5822 + 0.12119616147070… in func_pol()
29975 …15309064727788654e1 * t32253 * t1576 - 0.43630618129455577308e1 * t8191 * t5822 - 0.43630618129455… in func_pol()
[all …]

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