| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_scan_e0.c | 1594 double t3758, t3759, t3760, t3761, t3768, t3772, t3775, t3776; in func_pol() local
4011 t3768 = 0.22911460125803964958e1 * t421 * t118 * t518 * t522; in func_pol()
4014 …86 + t3690 - t3692 - t3694 - t3732 + t3739 + t3753 + t3756 + t3759 - t3761 + t3768 - t3772 - t3775; in func_pol()
4227 …t4482 = -t3686 + t3690 - t3692 - t3694 - t3732 + t3739 + t3753 + t3756 + t3759 - t3761 + t3768 - t… in func_pol()
4450 …t5273 = t5259 + t5262 + t5264 + t3768 - t3772 - t3775 + t5265 - t5266 - t5267 - t3787 + t3791 - t3… in func_pol()
4710 t6111 = t5264 + t3768 - t3772 - t3775 + t5265 - t5266 - t5267 - t3787 + t3791 - t3796 + t5268; in func_pol()
4786 t6391 = t3753 + t3756 - t6385 + t6386 + t6387 + t3768 - t3772 - t3775 + t6388 - t6389 - t6390; in func_pol()
4953 …t7389 = t3756 - t6385 + t6386 + t6387 + t3768 - t3772 - t3775 + t6388 - t6389 - t6390 - t3787 + t3… in func_pol()
5165 …t8302 = -t5259 + t5262 + t7830 + t3768 - t3772 - t3775 - t7831 - t7832 - t3787 + t3791 - t3796 + t… in func_pol()
5237 …5 + 0.12e2 * t771 * t2370 * t1040 - 0.4e1 * t771 * t772 * t3017 + t3761 + t3768 - t3772 - t3775 - … in func_pol()
[all …]
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| H A D | gga_c_lm.c | 903 double t3768, t3769, t3770, t3775, t3776, t3777, t3796, t3807; in func_pol() local
2634 t3768 = 0.10824628081150931252e0 * t3425; in func_pol()
2638 …t3776 = -t3767 + t3768 + t3769 + t3770 + 0.14e2 / 0.243e3 * t269 * t1221 - 0.7e1 / 0.27e2 * t269 *… in func_pol()
2651 …52 + t3755 + t3758 + t3086 + t3759 - t3760 - t3761 + t3110 - t3762 + t3763 - t3764 - t3767 + t3768; in func_pol()
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| H A D | gga_x_2d_b86.c | 559 double t3737, t3754, t3768, t3774, t3783, t3785, t3790, t3795; in func_pol() local
2248 …t3768 = 0.56530667892318084440e-6 * t436 * t397 * t226 * t52 + 0.56530667892318084440e-6 * t3737 -… in func_pol()
2250 …v4rho2sigma2[6] = t4 * t3768 + t1215 - t1219 + t1225 - t1229 - t1235 + t1238 + t1256 - t1259 + t36… in func_pol()
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| H A D | gga_c_lyp.c | 583 double t3758, t3759, t3762, t3766, t3767, t3768, t3772, t3773; in func_pol() local
2196 t3768 = t720 * t488; in func_pol()
2197 …3759 * t90 / 0.576e3 + t3762 / 0.192e3 + t1672 * t204 / 0.192e3 + t3767 + t3768 / 0.96e2 + t720 * … in func_pol()
2322 …+ t3671 / 0.288e3 + t3674 / 0.144e3 + t3762 / 0.288e3 + t3766 / 0.144e3 + t3768 / 0.144e3 + t3773 … 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
2777 t3768 = t2844 * t181; in func_pol()
2803 …2917382806163828060e-3 * t464 * t3765 + 0.15000000000000000000e1 * t338 * t3768 - 0.10000000000000… in func_pol()
4650 t15129 = 0.30000000000000000000e1 * t1103 * t3768; in func_pol()
4665 …98296836e-2 * t11504 * t2720 * t2765 + 0.15000000000000000000e1 * t1108 * t3768 + 0.15000000000000… in func_pol()
4864 …3000000000000e0 * t274 * t327 * t3823 + 0.15000000000000000000e1 * t1220 * t3768 + t15129 - t15131; in func_pol()
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| H A D | gga_c_op_pw91.c | 885 double t3756, t3759, t3760, t3763, t3764, t3767, t3768, t3771; in func_pol() local
2721 t3768 = t791 * t3767; in func_pol()
2722 …* t673 * t3760 + 0.20036838000000000000e0 * t283 * t3764 + 0.10018419000000000000e0 * t283 * t3768; in func_pol()
4354 t13279 = t667 * t3768; in func_pol()
4388 …20036838000000000000e0 * t670 * t3753 + 0.10018419000000000000e0 * t670 * t3768 + 0.10018419000000… in func_pol()
4551 …40073676000000000000e0 * t825 * t3764 + 0.20036838000000000000e0 * t825 * t3768 + 0.66789460000000… in func_pol()
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| H A D | gga_c_pbe.c | 1560 double t3761, t3762, t3763, t3764, t3765, t3766, t3768, t3769; in func_pol() local
3785 t3768 = t307 * t570; in func_pol()
3787 t3770 = t3768 * t3769; in func_pol()
5576 t11919 = t1231 * t3768 * t11917; in func_pol()
5591 t11957 = t3768 * t576; in func_pol()
5893 t13519 = t3768 * t976; in func_pol()
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| H A D | gga_xc_b97.c | 1795 double t3756, t3757, t3768, t3771, t3774, t3775, t3778, t3783; in func_pol() local
4248 …t3768 = -t3757 - 0.4e1 / 0.9e1 * t3591 + 0.2e1 / 0.9e1 * t3593 - 0.2e1 / 0.3e1 * t3595 + t3597 / 0… in func_pol()
4253 …t528 * t3768 - t3774 + 0.62517000000000000000e0 * t250 * t3775 - 0.10419500000000000000e0 * t250 *… in func_pol()
6498 …0000000000e2 * t3738 * t1083 * t1119 - 0.70594500000000000000e1 * t3753 * t3768 + t9092 + t9096 + … in func_pol()
6542 …0000000000e0 * t3732 * t1083 * t1119 + 0.12623250000000000000e1 * t3750 * t3768 - 0.37510200000000… in func_pol()
7140 …648625000000000000e1 * t1929 * t3768 + 0.94674375000000000000e0 * t4532 * t1119 + 0.31558125000000… in func_pol()
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| H A D | gga_x_chachiyo.c | 1415 double t3728, t3729, t3748, t3750, t3752, t3767, t3768, t3770; in func_pol() local
4179 t3768 = t3767 * t280; in func_pol()
4183 …* t987 * t995 + 0.28e2 / 0.27e2 * t275 * t1016 * t995 - 0.16e2 / 0.27e2 * t3768 - 0.8e1 / 0.9e1 * … in func_pol()
4310 …+ 0.16e2 / 0.2187e4 * t3748 + 0.8e1 / 0.2187e4 * t3750 - 0.4e1 / 0.27e2 * t3768 + 0.8e1 / 0.81e2 *… 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
4295 t3768 = t1376 * t970; in func_pol()
4296 … - t3756 / 0.1536e4 - t3758 / 0.1536e4 + t3761 + t3765 + 0.5e1 / 0.384e3 * t3766 - t3768 / 0.384e3; in func_pol()
4337 …e3 - t3758 / 0.768e3 + t3864 + 0.7e1 / 0.144e3 * t3764 + 0.5e1 / 0.192e3 * t3766 - t3768 / 0.192e3; 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
3989 …t3768 = 0.280e3 / 0.81e2 * t3734 * t419 - 0.1708e4 / 0.243e3 * t399 * t400 * t3121 * t407 - 0.280e… in func_pol()
4033 …42 * t3065) * t53 - t144 * t167 * t3574 + t3615 + t3655 + t3692 + t3733 + t3768 + t3818 + t3857) -… in func_pol()
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| H A D | gga_c_gapc.c | 240 double t3753, t3755, t3758, t3761, t3764, t3765, t3768, t3772; in func_unpol() local
2197 …t3768 = -0.12163329537032409896e-2 * t1413 * t3704 - 0.81159269719649860863e-4 * t1348 * t1159 + 0… in func_unpol()
2341 …t4165 = t3142 + t3213 + t3286 + t3372 + t3437 + t3492 + t3565 + t3635 + t3703 + t3768 + t3819 + t3… in func_unpol()
4282 double t3768, t3773, t3775, t3776, t3782, t3783, t3792, t3793; in func_ferr() local
6265 t3768 = t3767 * t1163; in func_ferr()
7598 …+ 0.38922654518503711668e-1 * t1222 * t1386 + 0.12357942809624928454e-4 * t3768 * t2433 + 0.202722… in func_ferr()
7623 …- 0.73305000233261025928e-7 * t3974 * t9895 + 0.24715885619249856908e-4 * t3768 * t2429 + 0.247158… in func_ferr()
8532 double t3761, t3762, t3764, t3765, t3766, t3768, t3769, t3771; in func_pol() local
12161 t3768 = t238 * t3692; in func_pol()
12162 t3769 = t3768 * t296; in func_pol()
[all …]
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| H A D | gga_x_sfat.c | 3126 double t3758, t3760, t3761, t3762, t3765, t3766, t3768, t3769; in func_pol() local
4987 t3768 = t887 * t1440 * t889; in func_pol()
4988 t3769 = t3768 / 0.6e1; in func_pol()
6326 …v4rho3sigma[2] = -t3768 / 0.2e1 - t3772 - 0.3e1 / 0.2e1 * t3775 + t9819 - t3782 / 0.2e1 - t3785 - … in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_tpss.c | 160 double t3740, t3757, t3762, t3765, t3768, t3778, t3790, t3796; in func_unpol() local
1368 t3768 = t1652 * t431; in func_unpol()
1369 …0.32e2 * t562 * t3762 - 0.9e1 / 0.64e2 * t562 * t3765 + 0.75e2 / 0.64e2 * t3768 * t1654 * t86 * t1… in func_unpol()
1448 … 0.9e1 / 0.4e1 * t1276 * t1477 * t691 - 0.25e2 * t3757 * t2037 + 0.75e2 * t3768 * t1654 * t933 * t… in func_unpol()
1520 …t3768 * t1654 * t856 * t269 + 0.225e3 / 0.32e2 * t3806 * t1863 * t5111 + 0.195e3 / 0.16e2 * t2146 … in func_unpol()
1573 … * t3768 * t2266 * t857 + 0.225e3 / 0.32e2 * t5123 * t857 * t4820 - 0.45e2 / 0.16e2 * t5127 * t858… in func_unpol()
1617 …t2499 * t186 - 0.243e3 / 0.32e2 * t1066 * t929 * t691 + 0.225e3 / 0.2e1 * t3768 * t2266 * t934 - 0… in func_unpol()
3583 double t3768, t3770, t3774, t3776, t3780, t3783, t3784, t3790; in func_pol() local
5604 t3768 = t470 * t105; in func_pol()
5605 t3770 = t1585 * t3768 * t432; in func_pol()
[all …]
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| H A D | mgga_x_rscan.c | 234 double t3704, t3724, t3754, t3756, t3759, t3762, t3765, t3768; in func_unpol() local
2497 t3768 = t178 * t3410; in func_unpol()
7255 double t3760, t3763, t3764, t3767, t3768, t3771, t3778, t3783; in func_ferr() local
9502 t3768 = t3767 * t505; in func_ferr()
12132 t14457 = 0.358066764566460e3 * t3768 * t14455; in func_ferr()
13189 t19230 = t3768 * t19132; in func_ferr()
13291 t19617 = t3768 * t19550; in func_ferr()
13787 t22634 = t3768 * t22525; in func_ferr()
13883 t23067 = t3768 * t22971; in func_ferr()
13997 t23569 = t3768 * t23551; in func_ferr()
[all …]
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| H A D | mgga_c_cs.c | 792 double t3762, t3764, t3766, t3768, t3778, t3780, t3782, t3784; in func_pol() local
2746 t3768 = t1412 * t1170; in func_pol()
2753 … * t3764 - 0.14616558293333333333e-1 * t3766 - 0.10386816000000000000e0 * t3768 + 0.17311360000000… in func_pol()
2843 …* t3764 - 0.48721860977777777779e-2 * t3766 - 0.34622720000000000000e-1 * t3768 - 0.34622720000000… in func_pol()
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| H A D | mgga_xc_b98.c | 3246 double t3748, t3751, t3754, t3768, t3780, t3782, t3784, t3812; in func_ferr() local
5587 double t3762, t3765, t3768, t3772, t3775, t3776, t3778, t3779; in func_pol() local
9334 t3768 = -t3757; in func_pol()
9391 t3857 = t3768 * t148; in func_pol()
9424 t3906 = t414 * t3768; in func_pol()
15524 t14928 = t3768 * t419; in func_pol()
15539 t14961 = t3892 * t3768; in func_pol()
15547 t14977 = t3901 * t3768; in func_pol()
15965 t17215 = t3768 * t656; in func_pol()
15979 t17254 = t1657 * t3768; in func_pol()
[all …]
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| H A D | mgga_x_rtpss.c | 147 double t3708, t3734, t3747, t3749, t3758, t3768, t3774, t3778; in func_unpol() local
1247 t3768 = t125 * t847; in func_unpol()
1251 …216 * t639 + 0.3e1 / 0.16e2 * t1655 * t1775 * t86 * t467 * t115 - t1329 * t3768 * t1335 / 0.18e2 +… in func_unpol()
1321 …* t1775 * t86 * t574 + t788 * t1748 * t209 * t115 * t107 / 0.32e2 + t1628 * t3768 * t1631 / 0.48e2; in func_unpol()
1396 …09 * t115 * t107 / 0.16e2 - 0.3e1 / 0.8e1 * t126 * t2029 * t795 - t1940 * t3768 * t1944 / 0.128e3 … in func_unpol()
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| H A D | mgga_x_mn12.c | 3718 double t3761, t3764, t3767, t3768, t3771, t3774, t3777, t3783; in func_pol() local
5470 t3768 = t3767 * t295; in func_pol()
5491 … - 0.2e1 * t3693 * t830 - 0.3e1 * t3699 * t830 - t3685 * t830 + 0.64e-7 * t3768 * t301 + 0.2048000… in func_pol()
6986 … * t3943 * t871 - 0.48924444444444444446e-5 * t3946 * t2621 - 0.1024e-5 * t3768 * t896 - 0.4027733… in func_pol()
7293 …6 * t11010 * t301 + 0.14336000000000000000e-7 * t1340 * t921 - 0.768e-9 * t3768 * t1100 - 0.327680… in func_pol()
9110 … 0.9e1 * t238 * t23884 + 0.1760e4 / 0.27e2 * t976 * t23884 + 0.13824e-4 * t3768 * t2621 + 0.657635… in func_pol()
9386 …t26300 = 0.192e-6 * t9964 * t279 * t301 + 0.28672000000000000000e-7 * t3768 * t921 + 0.10813440000… in func_pol()
9827 …t28755 = -0.36044800000000000001e-9 * t1340 * t3215 + 0.12288e-10 * t3768 * t4204 + 0.477866666666… in func_pol()
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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
5043 t3768 = t3767 * t68; in func_pol()
5044 t3771 = 0.3e1 / 0.8e1 * t8 * t18 * t3768; in func_pol()
6619 t10321 = t8 * t136 * t3768 / 0.8e1; in func_pol()
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| H A D | mgga_x_ms.c | 2893 double t3754, t3761, t3762, t3763, t3766, t3768, t3779, t3782; in func_pol() local
5383 t3768 = 0.26180e5 / 0.19683e5 * t152 * t3766; in func_pol()
5384 …6561e4 * t1954 * t1955 * t437 + 0.4000000e7 / 0.19683e5 * t3761 * t3763 + t3768 - 0.100e3 / 0.9e1 … in func_pol()
5410 …0.4782969e7 * t470 * t3782 + 0.26180e5 / 0.19683e5 * t189 * t3766 + t3824 - t3911 + t3784 - t3768); in func_pol()
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| H A D | mgga_x_scanl.c | 10962 double t3767, t3768, t3771, t3772, t3773, t3776, t3779, t3783; in func_pol() local
14112 t3768 = t1773 * t1118; in func_pol()
14860 …40e0 * t1158 * t5326 + 0.14983660725163427627e0 * t3771 * t5329 - 0.922000629760e0 * t1772 * t3768; in func_pol()
15459 …8 + 0.14983660725163427627e0 * t2276 * t3803 - 0.922000629760e0 * t2263 * t3768 - 0.12751277419167… in func_pol()
18070 …1149 * t14421 * t1154 + 0.58783429053584738202e0 * t3879 * t1124 * t100 * t3768 + 0.13174823849922… in func_pol()
18086 …t3768 + 0.89901964350980565762e0 * t3819 * t3803 - 0.10122663238838101478e0 * t14474 * t1144 + 0.2… in func_pol()
18824 …18382 - 0.2202015477522235392e1 * t107 * t3814 * t1835 * t1178 - 0.2766001889280e1 * t5336 * t3768; in func_pol()
19443 …- 0.38253832257502646895e1 * t21890 * t9122 - 0.2766001889280e1 * t6794 * t3768 + 0.94575714566868… in func_pol()
19902 … - 0.50613316194190507388e-1 * t7803 * t3858 - 0.922000629760e0 * t7722 * t3768 - 0.11064007557120… in func_pol()
19931 …t24338 - 0.11064007557120e2 * t399 * t24584 + 0.2766001889280e1 * t7729 * t3768 + 0.69074723123554… in func_pol()
[all …]
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| H A D | mgga_x_vt84.c | 6710 double t3766, t3768, t3772, t3777, t3780, t3784, t3787, t3789; in func_pol() local
9089 t3768 = 0.1944e4 * t3763 + 0.30400e5 / 0.9e1 * t3766; in func_pol()
9112 …t3837 = -0.73e2 / 0.97200e5 * t898 * t1407 - 0.73e2 / 0.194400e6 * t304 * t3768 + 0.23493497918454… in func_pol()
11612 …t3768 - 0.73e2 / 0.194400e6 * t9379 * t561 - 0.73e2 / 0.64800e5 * t3772 * t915 - 0.73e2 / 0.194400… in func_pol()
12240 ….24e2 - 0.73e2 / 0.97200e5 * t15716 * t313 - 0.73e2 / 0.97200e5 * t1393 * t3768 + 0.73e2 / 0.38880… in func_pol()
12241 …/ 0.259200e6 * t2798 * t2040 * t915 + 0.73e2 / 0.194400e6 * t903 * t561 * t3768 + 0.73e2 / 0.19440… in func_pol()
12600 …t3768 - 0.73e2 / 0.97200e5 * t4870 * t1407 - 0.46986995836909788306e-1 * t17794 + 0.584e3 / 0.2025… in func_pol()
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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
2135 t3768 = t96 * t3767; in func_pol()
2142 …0.10874334072525000000e2 * t89 * t3764 - 0.10874334072525000000e2 * t89 * t3768 + 0.65246004435150… in func_pol()
3861 …34072525000000e2 * t89 * t96 * t11457 - 0.10874334072525000000e2 * t437 * t3768 - 0.10874334072525… in func_pol()
4247 … t3764 - 0.16110124551888888889e2 * t1133 * t96 * t13641 - 0.43497336290100000000e2 * t588 * t3768; in func_pol()
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| H A D | lda_xc_ksdt.c | 2393 double t3759, t3767, t3768, t3769, t3771, t3772, t3773, t3776; in func_pol() local
5862 t3768 = t42 * t3767; in func_pol()
5863 t3769 = t39 * t3768; in func_pol()
5881 …t3818 = t1614 - 0.128e3 / 0.243e3 * t2920 + 0.16e2 / 0.243e3 * t544 * t3768 + 0.16e2 / 0.81e2 * t5… in func_pol()
5901 …t3886 = t1544 - 0.128e3 / 0.243e3 * t3084 + 0.16e2 / 0.243e3 * t563 * t3768 + 0.16e2 / 0.81e2 * t5… in func_pol()
5917 …t3940 = t1913 - 0.128e3 / 0.243e3 * t3250 + 0.16e2 / 0.243e3 * t501 * t3768 + 0.16e2 / 0.81e2 * t5… in func_pol()
5921 …t3958 = t1838 - 0.128e3 / 0.243e3 * t3232 + 0.16e2 / 0.243e3 * t482 * t3768 + 0.16e2 / 0.81e2 * t4… in func_pol()
6040 …t4274 = t1692 - 0.128e3 / 0.243e3 * t3014 + 0.16e2 / 0.243e3 * t597 * t3768 + 0.16e2 / 0.81e2 * t5… in func_pol()
6042 …t4289 = t1658 - 0.128e3 / 0.243e3 * t2995 + 0.16e2 / 0.243e3 * t614 * t3768 + 0.16e2 / 0.81e2 * t6… in func_pol()
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