| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_n12.c | 1161 double t3737, t3738, t3742, t3747, t3748, t3756, t3769, t3771; in func_pol() local
2693 t3771 = 0.1e1 / t3769 * t2870; in func_pol()
2696 …t600 * t423 - 0.36044800000000000001e-9 * t160 * t1446 + 0.65536000000000000002e-12 * t438 * t3771; in func_pol()
2699 …t617 * t423 - 0.36044800000000000001e-9 * t177 * t1446 + 0.65536000000000000002e-12 * t461 * t3771; in func_pol()
2702 …t634 * t423 - 0.36044800000000000001e-9 * t190 * t1446 + 0.65536000000000000002e-12 * t480 * t3771; in func_pol()
2703 …44800000000000001e-9 * t146 * t1446 + 0.65536000000000000002e-12 * t417 * t3771 + t3799 * t169 - t… in func_pol()
3556 …t3771 - 0.3072e-5 * t64 * t410 * t150 + 0.15974400000000000000e-6 * t64 * t420 * t9113 - 0.2064384… in func_pol()
3557 …t3771 - 0.3072e-5 * t88 * t410 * t150 + 0.15974400000000000000e-6 * t88 * t420 * t9113 - 0.2064384… in func_pol()
3558 …t3771 - 0.3072e-5 * t105 * t410 * t150 + 0.15974400000000000000e-6 * t105 * t420 * t9113 - 0.20643… in func_pol()
3559 …t3771 - 0.3072e-5 * t45 * t410 * t150 + 0.15974400000000000000e-6 * t45 * t420 * t9113 - 0.2064384… in func_pol()
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| H A D | gga_c_sogga11.c | 5733 t3772 = t3450 * t3771; in func_pol()
5772 t3836 = t3430 * t3771; in func_pol()
5865 t4001 = t3218 * t3771; in func_pol()
5868 t4007 = t3226 * t3771; in func_pol()
5893 t4061 = t3434 * t3771; in func_pol()
5950 t4159 = t3170 * t3771; in func_pol()
5954 t4165 = t3438 * t3771; in func_pol()
5963 t4181 = t1118 * t3771; in func_pol()
8392 t11634 = t9813 * t3771; in func_pol()
8715 t12261 = t9991 * t3771; in func_pol()
[all …]
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| H A D | gga_c_p86.c | 1011 double t3762, t3766, t3771, t3775, t3781, t3784, t3785, t3789; in func_pol() local
2914 t3771 = t551 / t3762 * t78 * t228; in func_pol()
2918 …v4sigma4[0] = t7 * (-0.45726089062500000000e-3 * t3766 - 0.37171115039141015625e-6 * t3771 - 0.671… in func_pol()
2921 t3785 = 0.74342230078282031250e-6 * t3771; in func_pol()
2929 t3790 = 0.14868446015656406250e-5 * t3771; in func_pol()
2941 t3795 = 0.29736892031312812500e-5 * t3771; in func_pol()
2955 …v4sigma4[10] = t7 * (-0.731617425e-2 * t3766 - 0.59473784062625625e-5 * t3771 - 0.1074371771627264… in func_pol()
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| H A D | gga_c_pbe.c | 3788 t3771 = t1231 * t3770; in func_pol()
3789 t3772 = t3771 * t282; in func_pol()
3888 t3966 = t3771 * t355; in func_pol()
5574 t11915 = t3771 * t703; in func_pol()
5585 t11936 = t3771 * t698; in func_pol()
5598 t11976 = t3771 * t11974 * t591; in func_pol()
5727 t12576 = t3771 * t869; in func_pol()
5737 t12610 = t3771 * t11974 * t835; in func_pol()
5738 t12613 = t3771 * t11980 * t872; in func_pol()
5888 t13495 = t3771 * t1020; in func_pol()
[all …]
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| H A D | gga_k_apbeint.c | 773 double t3656, t3662, t3668, t3753, t3762, t3771, t3792, t3801; in func_pol() local
2117 t3771 = t742 * t306; in func_pol()
2119 …1 * t474 * t475 * t221 * t1459 + 0.3e1 / 0.10e2 * t202 * t203 * t106 * ((-t3771 * t1450 / 0.2304e4… in func_pol()
2163 …1 * t528 * t529 * t243 * t1491 + 0.3e1 / 0.10e2 * t202 * t225 * t166 * ((-t3771 * t1482 / 0.2304e4… in func_pol()
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| H A D | gga_xc_b97.c | 4249 t3771 = t1863 * t15; in func_pol()
4784 t4804 = t418 * t3771 * t1801; in func_pol()
4785 t4807 = t354 * t3771 * t1797; in func_pol()
6466 t9020 = 0.5e1 / 0.54e2 * t13 * t3771 * t70; in func_pol()
6469 t9027 = 0.5e1 / 0.54e2 * t76 * t3771 * t124; in func_pol()
7107 t11948 = t354 * t3771 * t4792; in func_pol()
7264 t12667 = t354 * t3771 * t357; in func_pol()
7266 t12672 = t418 * t3771 * t421; in func_pol()
7630 t14826 = t418 * t3771 * t6167; in func_pol()
8325 t21159 = t354 * t3771 * t7630; in func_pol()
[all …]
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| H A D | gga_x_htbs.c | 1187 double t3664, t3678, t3685, t3718, t3753, t3771, t3775, t3776; in func_pol() local
2510 t3771 = t1754 * t18; in func_pol()
2516 …+ 0.81391661437545805002e-2 * t1757 * t1176 - 0.73171657588172351100e-1 * t3771 * t33 * t205 - 0.2… in func_pol()
2616 …4380 + 0.1551398400e2 * t1229 * t834 * t791 + 0.18292914397043087775e-1 * t3771 * t365 + 0.8943202… in func_pol()
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| H A D | gga_xc_th1.c | 594 double t3755, t3756, t3758, t3759, t3771, t3788, t3789, t3792; in func_pol() local
1920 …t3771 = t3665 - 0.20e2 / 0.3e1 * t3562 + t3667 - 0.7e1 / 0.6e1 * t3605 + t3669 - 0.8e1 / 0.3e1 * t… in func_pol()
1947 v4rho4[1] = t3638 + t3650 + t3664 + t3771 + t3828 + t3933 + t3961 + t3990; in func_pol()
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| H A D | gga_x_am05.c | 1753 double t3742, t3749, t3751, t3757, t3764, t3771, t3788, t3794; in func_pol() local
3340 t3771 = t623 * t3582 * t1657; in func_pol()
3341 …1 / 0.27e2 * t3764 + t1538 * t624 * t671 * t461 / 0.9e1 + 0.7e1 / 0.9e1 * t3771 - 0.5e1 / 0.27e2 *… in func_pol()
3376 …/ 0.9e1 - t3742 / 0.3e1 - t3749 / 0.6e1 - t3757 / 0.6e1 + t3764 / 0.9e1 - t3771 / 0.3e1 - t4018 / … in func_pol()
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| H A D | gga_c_op_g96.c | 787 double t3756, t3757, t3760, t3761, t3764, t3765, t3768, t3771; in func_pol() local
2778 t3771 = t544 * t778; in func_pol()
2803 …15000000000000000000e1 * t338 * t3768 - 0.10000000000000000000e1 * t338 * t3771 + 0.36458691403081… in func_pol()
4652 t15133 = 0.20000000000000000000e1 * t1103 * t3771; in func_pol()
4669 …t15293 = -0.10000000000000000000e1 * t1108 * t3771 - 0.10000000000000000000e1 * t338 * t1695 * t77… in func_pol()
4860 …000000000000e1 * t338 * t2043 * t778 - 0.10000000000000000000e1 * t1220 * t3771 - 0.10000000000000… in func_pol()
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| H A D | gga_x_ncap.c | 2292 double t3750, t3752, t3755, t3761, t3762, t3768, t3770, t3771; in func_pol() local
3991 t3771 = t3770 * t179; in func_pol()
3992 t3772 = t1374 * t3771; in func_pol()
4005 …t3818 = 0.4e1 / 0.3e1 * t415 * t3772 + 0.16e2 * t440 * t1380 * t3771 + 0.4e1 / 0.3e1 * t415 * t377… in func_pol()
4366 …71 * t140 + 0.3e1 * t753 * t2090 * t3761 - 0.3e1 / 0.2e1 * t753 * t2090 * t3771 + 0.3e1 * t753 * t… in func_pol()
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| H A D | gga_c_hcth_a.c | 1526 double t3747, t3750, t3757, t3769, t3771, t3772, t3774, t3775; in func_pol() local
3814 t3771 = 0.10363566666666666667e-1 * t3769 * t446; in func_pol()
3815 …51817833333333333333e-2 * t546 * t3741 + 0.10363566666666666667e-1 * t1457 * t1463 - t3747 - t3771; in func_pol()
3857 …14 - t3729 + t3841 * t224 + 0.3e1 * t3844 - 0.12e2 * t3846 - 0.3e1 / 0.2e1 * t3848 + t3747 + t3771; in func_pol()
4300 ….2e1 * t3844 - 0.4e1 * t3846 + 0.3e1 * t2494 * t43 - t4860 / 0.2e1 - t4862 / 0.2e1 + t3747 + t3771; in func_pol()
4725 …t5866 = t3747 + t3771 - t1868 * t726 / 0.12e2 - t720 * t1852 / 0.12e2 - t5847 * t200 / 0.24e2 - t2… in func_pol()
4954 …0.96e2 * t4843 + t3706 + t3710 + t3714 - t3729 + 0.60e2 * t4848 + t3747 + t3771 - t5852 / 0.4e1 - … in func_pol()
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| H A D | gga_c_ft97.c | 2049 t3771 = t18 * t3770; in func_unpol()
12438 t3771 = t677 * t226; in func_pol()
12441 t3774 = t3771 * t3773; in func_pol()
12922 t4949 = t3771 * t4948; in func_pol()
13413 t6034 = t3771 * t6033; in func_pol()
16738 t13451 = t3771 * t13450; in func_pol()
18557 t17808 = t3771 * t17807; in func_pol()
18590 t17866 = t3771 * t17865; in func_pol()
18609 t17895 = t3771 * t17894; in func_pol()
19946 t21389 = t3771 * t21388; in func_pol()
[all …]
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| H A D | gga_c_revtca.c | 1311 double t3759, t3760, t3763, t3764, t3771, t3773, t3779, t3781; in func_pol() local
3785 t3771 = t994 * t1213 * t353 * t359; in func_pol()
3786 …1715861071393527e0 * t3102 + 0.15035019122281424417e-1 * t3107 + 0.75175095611407122085e-2 * t3771; in func_pol()
3898 …* t3102 + 0.50116730407604748056e-2 * t3107 + 0.10023346081520949611e-1 * t3771 - 0.60114477240714… in func_pol()
3969 …2434423458473474e-2 * t3077 + t3089 + t3096 + 0.75175095611407122084e-2 * t3771 - 0.45085857930535… in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2040 double t3764, t3765, t3766, t3768, t3770, t3771, t3778, t3779; in func_pol() local
4297 t3771 = params->beta * t3770; in func_pol()
4319 … * t3813 + t1392 * t3816 + t1392 * t3818 + 0.2e1 * t1394 * t3783 + t160 * t3771 - t3779 * t496 - 0… in func_pol()
5957 … - 0.12e2 * t10636 * t3797 - 0.18e2 * t1384 * t3790 + 0.6e1 * t1388 * t3779 - 0.3e1 * t3771 * t409; in func_pol()
6095 …3 * t4028 - 0.6e1 * t1451 * t3790 + 0.4e1 * t494 * t1386 * t3979 * t408 - t3771 * t470 - 0.4e1 * t… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_regtpss.c | 2141 t3771 = 0.1e1 / t3770; in func_unpol()
2448 t4513 = t3761 * t3771; in func_unpol()
3480 t10904 = t2698 * t3771; in func_unpol()
3824 t13726 = t2690 * t3771; in func_unpol()
4160 t16492 = t458 * t3771; in func_unpol()
11145 t3772 = t245 * t3771; in func_pol()
11191 t3915 = t215 * t3771; in func_pol()
12973 t8158 = t2783 * t3771; in func_pol()
13026 t8354 = t3771 * t38; in func_pol()
13760 t9701 = t2782 * t3771; in func_pol()
[all …]
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| H A D | mgga_x_scan.c | 5628 t3771 = t3770 * t1340; in func_pol()
5629 t3772 = t3771 * t1416; in func_pol()
5638 t3788 = t3771 * t1420; in func_pol()
7660 t10575 = t3771 * t3813; in func_pol()
7661 t10588 = t3771 * t3816; in func_pol()
7671 t10630 = t3771 * t3824; in func_pol()
7672 t10632 = t3771 * t3828; in func_pol()
7674 t10635 = t3771 * t3821; in func_pol()
7993 t12636 = t3771 * t4420; in func_pol()
8024 t12728 = t3771 * t4565; in func_pol()
[all …]
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| H A D | mgga_x_scanl.c | 203 double t3763, t3764, t3767, t3771, t3773, t3774, t3776, t3780; in func_unpol() local
2079 …t3771 = -0.2e1 * t179 * t1398 * t308 + 0.2e1 * t179 * t3752 * t149 + 0.2e1 * t179 * t3756 * t149 +… in func_unpol()
2244 t4346 = t3771 + t4345; in func_unpol()
5561 double t3771, t3773, t3774, t3776, t3777, t3778, t3780, t3787; in func_ferr() local
7443 t3771 = t3770 * t1387; in func_ferr()
10962 double t3767, t3768, t3771, t3772, t3773, t3776, t3779, t3783; in func_pol() local
14113 t3771 = t398 * t1177; in func_pol()
18822 t18381 = t394 * t3771; in func_pol()
20006 t25028 = t686 * t3771; in func_pol()
20463 t28070 = t862 * t3771; in func_pol()
[all …]
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| H A D | mgga_c_scanl.c | 228 double t3748, t3751, t3752, t3755, t3758, t3766, t3770, t3771; in func_unpol() local
2286 t3771 = t3770 * t193; in func_unpol()
11164 double t3768, t3771, t3772, t3773, t3774, t3776, t3777, t3783; in func_pol() local
15703 t3771 = 0.98765432098765432100e-1 * t3712 * t944 + 0.32921810699588477367e0 * t3684 * t3768; in func_pol()
15704 t3772 = t3771 * t316; in func_pol()
19825 t13333 = t3771 * t842; in func_pol()
21204 t17217 = t3771 * t921; in func_pol()
21268 t17345 = t3771 * t947; in func_pol()
21555 t18241 = t1059 * t3771; in func_pol()
21567 t18274 = t1108 * t3771; in func_pol()
[all …]
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| H A D | mgga_x_m11_l.c | 2224 double t3771, t3774, t3775, t3778, t3779, t3780, t3783, t3784; in func_ferr() local
3172 t3771 = t3770 * tau[0]; in func_ferr()
3186 …e4 * t398 * t3771 + 0.1100e4 * t142 * t3775 - 0.27500e5 / 0.3e1 * t398 * t3780 - 0.11000e5 / 0.3e1… in func_ferr()
3220 …t3940 = -0.2000e4 / 0.3e1 * t355 * t3855 + 0.900e3 * t136 * t3771 - 0.2750e4 * t136 * t3780 + 0.90… in func_ferr()
3240 …t4066 = 0.1100e4 * t1170 * t3771 + 0.2420e4 * t473 * t3775 - 0.2750e4 * t3005 * t3792 - 0.30250e5 … in func_ferr()
3241 … * t463 * t3792 + 0.900e3 * t184 * t3771 - 0.2750e4 * t184 * t3780 + 0.900e3 * t1163 * t3829 + 0.2… in func_ferr()
3256 ….9e1 * t228 * t3991 - 0.440e3 / 0.9e1 * t545 * t3991 + 0.1100e4 * t1333 * t3771 + 0.2420e4 * t545 … in func_ferr()
3257 …0e4 * t222 * t3792 + 0.900e3 * t225 * t3771 - 0.2750e4 * t225 * t3780 - 0.1400e4 * t3354 * t3821 +… in func_ferr()
3268 …0e2 / 0.3e1 * t4550 * t4002 + 0.900e3 * t1468 * t3829 + 0.2000e4 * t602 * t3771 - 0.1500e4 * t1488… in func_ferr()
3269 …e4 * t592 * t3813 - 0.2800e4 / 0.3e1 * t3583 * t3817 + 0.1100e4 * t1475 * t3771 + 0.2420e4 * t607 … in func_ferr()
[all …]
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| H A D | mgga_x_pbe_gx.c | 2617 double t3767, t3768, t3771, t3774, t3777, t3778, t3781, t3783; in func_pol() local
5044 t3771 = 0.3e1 / 0.8e1 * t8 * t18 * t3768; in func_pol()
5050 v3sigma3[0] = t10 * (-t3771 + t3774 - t3777 + t3781); in func_pol()
6638 v4rhosigma3[0] = t10 * t10475 - t3771 + t3774 - t3777 + t3781; in func_pol()
6673 …v4rhosigma3[10] = -t3771 + t3774 - t3777 + t3781 + t10 * (-t123 * t10315 * t218 / 0.2e1 - t10321 +… in func_pol()
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| H A D | mgga_x_m06l.c | 138 double t3680, t3683, t3706, t3739, t3762, t3766, t3771, t3786; in func_unpol() local
1155 t3771 = t1918 * t616; in func_unpol()
1157 …t3771 + 0.4481424e-1 * t900 * t3771 - 0.6694387022592e-3 * t2460 * t1912 - 0.3347193511296e-3 * t1… in func_unpol()
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| H A D | mgga_x_br89_explicit.c | 2151 t3771 = t280 * t217; in func_unpol()
2152 t3772 = t1874 * t3771; in func_unpol()
2194 t3874 = t3771 * t138; in func_unpol()
4404 t13918 = t8624 * t3771; in func_unpol()
5270 t20708 = t9411 * t3771; in func_unpol()
5761 t24894 = t3069 * t3771; in func_unpol()
18016 t3771 = t3770 * t12; in func_pol()
18017 t3772 = t3771 * t185; in func_pol()
18345 t4336 = t3771 * t301; in func_pol()
25695 t19154 = t3771 * t964; in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_ml1.c | 420 double t3767, t3768, t3771, t3772, t3775, t3776, t3783, t3786; in func_pol() local
2136 t3771 = t209 * t917; in func_pol()
2137 t3772 = t461 * t3771; in func_pol()
3856 t11422 = t94 * t1152 * t3771; in func_pol()
4247 …00e2 * t1950 * t1951 * t3763 + 0.86994672580200000000e2 * t1956 * t1951 * t3771 + 0.86994672580200… in func_pol()
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| H A D | lda_c_pk09.c | 164 double t3770, t3771, t3782, t3783, t3786, t3787, t3789, t3791; in func_unpol() local
1287 t3771 = t3770 * t319; in func_unpol()
1319 …* t767 * t1560 / 0.12e2 + t1553 * t1420 / 0.9e1 + t1547 * t1420 / 0.9e1 + t3771 * t1558 * t1561 / … in func_unpol()
1329 …0 + 0.18805371096875317166e1 * t1416 * t1451 - 0.18805371096875317166e1 * t3771 * t408 * t530 + 0.… in func_unpol()
2483 double t3757, t3761, t3762, t3765, t3769, t3770, t3771, t3775; in func_pol() local
4657 …t3771 = -0.60002723799402105185e0 * t3702 - 0.10000453966567017531e1 * t3706 - t3710 - t3718 - t37… in func_pol()
5859 … (t3177 + t3236 + t3285 + t3336 + t3418 + t3473 + t3551 + t3655 + t3700 + t3771 + t3858 + t3951 + … in func_pol()
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