| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_xc_th3.c | 642 double t5619, t5635, t5638, t5665, t5673, t5676, t5695, t5704; in func_pol() local
2271 t5673 = t2160 * t830; in func_pol()
2273 …t5673 + 0.17e2 / 0.108e3 * t962 * t5676 + t967 * t5676 / 0.6e1 + 0.5e1 / 0.27e2 * t970 * t5676 + 0… in func_pol()
2278 …t5726 = 0.5e1 / 0.9e1 * t970 * t5673 - 0.55e2 / 0.108e3 * t811 * t983 - 0.32e2 / 0.9e1 * t87 * t56… in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2122 double t5648, t5652, t5661, t5666, t5667, t5668, t5673, t5674; in func_pol() local
5036 t5673 = 0.10126265704850360339e3 * t2251 * t2 * t274 * t2255 * t512; in func_pol()
5081 … + 0.12e2 * t1870 * t333 * t413 + t5648 - t5652 + t5661 - t5666 + t5668 + t5673 + t5675 - t5678 + … in func_pol()
5167 …t6415 = t5640 + t5642 + t5648 - t5652 + t5661 - t5666 + t5668 + t5673 + t5675 - t5678 + t6098 + t5… in func_pol()
5405 …71 - t7373 - t7375 - t7377 + t5648 - t5652 + t5661 - t5666 - t7379 + t7381 - t7383 + t7384 + t5673; in func_pol()
5442 t7634 = t5661 - t5666 - t7379 + t7381 - t7383 + t7384 + t5673 - t7386 - t5678 + t6098 + t5899; in func_pol()
5549 …94 - t7895 + t5648 - t5652 + t5661 - t5666 - t7896 + t7943 - t7944 + t7945 - t7948 - t7950 + t5673; in func_pol()
5652 …10 * t3415 * t411 + 0.3e1 * t163 * t333 * t7791 - 0.6e1 * t2663 * t8817 + t5673 - t5678 + t5899 + … in func_pol()
5756 …t9405 = t9389 - t9391 + t9392 + t7383 - t9394 - t9399 - t7384 + t5673 + t7386 - t5678 + t6098 + t5… in func_pol()
5853 …t10082 = t5661 - t5666 - t10077 - t10078 - t10079 - t10080 - t10081 - t5668 + t5673 - t5675 - t567… in func_pol()
[all …]
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| H A D | gga_xc_th1.c | 628 double t5610, t5613, t5632, t5634, t5637, t5653, t5656, t5673; in func_pol() local
2216 …t5673 = -t1050 * t5632 - 0.2e1 / 0.27e2 * t1053 * t5634 - t1053 * t5632 - 0.8e1 / 0.27e2 * t1056 *… in func_pol()
2235 v4rho3sigma[3] = t5524 + t5559 + t5595 + t5637 + t5673 + t5710 + t5750 + t5792; in func_pol()
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| H A D | gga_x_ityh.c | 2650 double t5651, t5658, t5659, t5661, t5673, t5674, t5678, t5687; in func_pol() local
4905 t5673 = 0.10e2 / 0.27e2 * t7 * t87 * t2092 * t138; in func_pol()
4906 …2 / 0.27e2 * t5659 - t497 * t146 * t42 * t5661 / 0.2e1 - 0.3e1 * t145 * t146 * t608 * t516 + t5673; in func_pol()
4966 …1 * t5972 - 0.5e1 / 0.27e2 * t5975 - t5648 / 0.2e1 - t5651 / 0.6e1 - 0.5e1 / 0.9e1 * t5659 + t5673; in func_pol()
5012 ….10e2 / 0.27e2 * t5975 - 0.10e2 / 0.27e2 * t5659 - t497 * t5974 / 0.3e1 + t5673 + t6346 / 0.6e1 + … in func_pol()
5046 … 0.3e1 - 0.5e1 / 0.9e1 * t5975 - 0.5e1 / 0.27e2 * t5659 - t6622 / 0.8e1 + t5673 + t6346 / 0.2e1 + … in func_pol()
5127 …350 - 0.20e2 / 0.27e2 * t5940 - 0.20e2 / 0.27e2 * t5975 - t6622 / 0.2e1 + t5673 + t6346 + t6349 / … in func_pol()
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| H A D | gga_c_pbe.c | 1640 double t5672, t5673, t5674, t5675, t5676, t5678, t5679, t5681; in func_pol() local
4477 t5673 = 0.96e2 * t4660; in func_pol()
4486 …t5684 = t4652 - t5670 + t4658 - t5672 - t5673 - t4663 + t4667 - t4671 - t4674 + t4678 + t4681 + t4… in func_pol()
4601 …- t5694 - t5696 + t5698 - t5690 + t5692 - t5688 + t5683 + t5681 - t5672 - t5673 - t5668 - t5670 + … in func_pol()
4900 …6621 * t6725 + 0.18e2 * t457 * t788 * t970 - t4663 + t4667 - t4671 - t4674 + t4678 - t5672 + t5673; in func_pol()
4927 …t8029 = -t7877 - t7878 - t4642 + t4645 - t7879 + t4652 - t7883 + t4658 - t5672 + t5673 - t4663 + t… in func_pol()
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| H A D | gga_c_op_b88.c | 882 double t5631, t5632, t5640, t5650, t5673, t5674, t5683, t5702; in func_pol() local
3104 t5673 = 0.1e1 / t1562 / t56; in func_pol()
3110 …5555556e-2 * t19 * t165 * t1596 + 0.22399999999999999999e-1 * t19 * t48 * t5673 * t5674 - 0.335999… in func_pol()
3661 t9578 = t47 * t5673; in func_pol()
4945 …3333332e-2 * t19 * t755 * t4159 + 0.22399999999999999999e-1 * t19 * t48 * t5673 * t18946 - 0.33599… in func_pol()
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| H A D | gga_x_gg99.c | 3740 double t5662, t5665, t5670, t5673, t5676, t5680, t5681, t5682; in func_pol() local
7190 t5673 = t229 * t318; in func_pol()
7203 …481 + 0.4e1 * t984 * t5688 * t318 + 0.2e1 * t994 * t5696 * t343 + 0.4e1 * t5673 * t1787 + 0.4e1 * … in func_pol()
8223 … + 0.18e2 * t5704 * t5709 * t2988 + 0.12e2 * t984 * t3154 * t900 + 0.12e2 * t5673 * t3163 + t10377; in func_pol()
9352 …* t984 * t5688 * t900 + 0.4e1 * t229 * t900 * t1787 + 0.8e1 * t5673 * t5676 + 0.8e1 * t5673 * t568… in func_pol()
9650 … * t5673 * t6505 + 0.4e1 * t984 * t3154 * t1731 + 0.4e1 * t984 * t985 * t5579 + 0.4e1 * t984 * t20… in func_pol()
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| H A D | gga_c_op_g96.c | 840 double t5673, t5676, t5677, t5680, t5685, t5689, t5700, t5713; in func_pol() local
3210 t5673 = t502 * t253; in func_pol()
3217 …- 0.10107545023116841601e-2 * t1432 * t5665 + 0.77491178510562452272e-2 * t5673 * t1434 + 0.354862… in func_pol()
3422 …t6728 = 0.25830392836854150757e-2 * t5673 * t1842 + 0.43291055426970588511e-1 * t5685 * t1842 + 0.… in func_pol()
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| H A D | gga_c_gapc.c | 4374 double t5666, t5667, t5671, t5672, t5673, t5674, t5679, t5682; in func_ferr() local
7011 t5673 = t5495 * t102; in func_ferr()
7012 t5674 = t5673 * t3208; in func_ferr()
7020 t5695 = t5673 * t3200; in func_ferr()
8148 …t15668 = 0.43440462632258606772e-4 * t5613 * t5582 + 0.12290803273518880209e-8 * t5672 * t5673 * t… in func_ferr()
8177 …2095132499841010e-4 * t4955 * t5718 - 0.36872409820556640627e-8 * t5672 * t5673 * t9762 - 0.303534… in func_ferr()
8192 …90803273518880209e-8 * t12415 * t5671 * t5695 + 0.61454016367594401044e-9 * t5694 * t5673 * t11253; in func_ferr()
8631 double t5655, t5658, t5661, t5662, t5663, t5666, t5673, t5683; in func_pol() local
12960 t5673 = t545 * t2727; in func_pol()
17239 …0055220e-5 * t139 * t17301 * t4812 * t14101 - 0.19461327259251855833e-1 * t5673 * t5145 - 0.243477… in func_pol()
[all …]
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| H A D | gga_c_zpbeint.c | 2097 double t5665, t5667, t5668, t5669, t5673, t5677, t5678, t5680; in func_pol() local
5953 t5673 = t5531 * t788 * t5667; in func_pol()
5954 t5677 = -t5587 / 0.64e2 + 0.6e1 * t5669 * t4990 - 0.6e1 * t5529 * t5673 + t5600 / 0.64e2; in func_pol()
9312 …7 - 0.18e2 * t5669 * t20203 - 0.12e2 * t20874 * t20207 - 0.6e1 * t20211 * t5673 + 0.24e2 * t5590 *… in func_pol()
9467 …3 - 0.18e2 * t5669 * t20967 - 0.12e2 * t20874 * t20970 - 0.6e1 * t20974 * t5673 + 0.24e2 * t5590 *… in func_pol()
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| H A D | gga_x_sfat.c | 3207 double t5660, t5661, t5662, t5663, t5666, t5669, t5673, t5676; in func_pol() local
5719 t5673 = t2754 * t5546 * t449; in func_pol()
5731 …2566370614359172954e2 * t5669 * t5177 + 0.75398223686155037724e2 * t588 * t5673 - 0.75398223686155… in func_pol()
6961 …9693e1 * t588 * t349 * t15054 * t449 + 0.75398223686155037724e2 * t1614 * t5673 - 0.28424460675137… in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 376 t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, & local
2469 t5673 = 0.2250000000e1_dp*t1912*t5671
2481 t5705 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
2755 t6433 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
3155 t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, t5686, t5689, & local
5245 t5673 = 0.2250000000e1_dp*t1912*t5671
5257 t5705 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
5531 t6433 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 376 t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, & local
2469 t5673 = 0.2250000000e1_dp*t1912*t5671
2481 t5705 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
2755 t6433 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
3155 t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, t5686, t5689, & local
5245 t5673 = 0.2250000000e1_dp*t1912*t5671
5257 t5705 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
5531 t6433 = t5670 - t5673 + t5676 - t5679 + t5682 + t5686 - t5689 + t5692 &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_tpssloc.c | 2397 double t5673, t5701, t5736, t5765, t5792, t5800, t5804, t5820; in func_ferr() local
3725 v4rhosigma3[0] = t5484 + t5518 + t5649 + t5673 + t5701 + t5736 + t5765 + t5792; in func_ferr()
4248 double t5657, t5660, t5665, t5670, t5673, t5676, t5679, t5683; in func_pol() local
11582 t5673 = t1018 * t1406; in func_pol()
11589 …2 + 0.135e2 * t5100 * t1018 + 0.135e2 * t3765 * t1406 + 0.270e2 * t2770 * t5673 + 0.135e2 * t965 *… in func_pol()
17339 t20196 = t5673 * t461; in func_pol()
17373 …12110 * t5075 + 0.135e2 * t3765 * t4982 + 0.270e2 * t9254 * t5673 + 0.270e2 * t14720 * t5673 + 0.2… in func_pol()
18011 t22227 = t5673 * t1002; in func_pol()
19702 t26557 = t420 * t5673; in func_pol()
34229 t104007 = t1585 * t5673 * t20; in func_pol()
[all …]
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| H A D | mgga_c_vsxc.c | 3366 double t5661, t5662, t5664, t5666, t5668, t5669, t5671, t5673; in func_pol() local
7188 t5673 = t2010 * t412; in func_pol()
7189 t5674 = t5673 * t436; in func_pol()
7556 t6509 = t5673 * t633; in func_pol()
11443 …6 + 0.10000000000000000000e1 * t1359 * t5534 + 0.50000000000000000001e0 * t5673 * t1401 - 0.310907… in func_pol()
11752 …6 - 0.11659012500000000000e-1 * t5836 * t686 + 0.15000000000000000000e1 * t5673 * t1682 + 0.150000… in func_pol()
11978 …0000e-1 * t6782 * t686 + 0.60000000000000000000e1 * t5673 * t1954 + 0.30000000000000000000e1 * t56… in func_pol()
12277 …- 0.62500000000000000001e-1 * t19574 * t2378 + 0.50000000000000000001e0 * t5673 * t2370 + 0.500000… in func_pol()
12310 …14 * t2514 + t251 * (t24416 + t24442 + t24469 + t24508) + 0.15000000000000000000e1 * t5673 * t2456; in func_pol()
12591 …2 + 0.50000000000000000001e0 * t1404 * t8693 + 0.50000000000000000001e0 * t5673 * t2670 + 0.500000… in func_pol()
[all …]
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| H A D | hyb_mgga_x_js18.c | 4429 double t5662, t5665, t5670, t5673, t5698, t5701, t5706, t5713; in func_ferr() local
6326 t5673 = t24 * t691; in func_ferr()
7474 …t5673 * t3826 + 0.75465869629629629630e0 * t13456 * t1740 + 0.75465869629629629630e0 * t1739 * t69… in func_ferr()
7944 …23e1 * t11110 * t6625 + 0.84521773985185185182e-1 * t5673 * t4962 - 0.70434811654320987652e-1 * t5… in func_ferr()
8697 double t5662, t5667, t5670, t5673, t5677, t5678, t5683, t5687; in func_pol() local
12202 t5673 = t1770 * t933; in func_pol()
12203 …t5677 = t1757 * t875 - 0.6e1 * t1101 * t5667 - 0.62888224691358024691e-1 * t5670 * t1765 + t5673 *… in func_pol()
16509 …6868 - 0.12e2 * t1101 * t21853 - 0.6e1 * t1101 * t21856 + t21859 * t428 + t5673 * t1786 / 0.5e1 - … in func_pol()
23529 …t5673 * t6426 / 0.10e2 + 0.50310579753086419752e-1 * t63429 * t6645 - 0.12e2 * t1101 * t875 * t616… in func_pol()
23941 …101 * t3160 * t24128 + 0.54e2 * t3817 * t46771 * t6843 - 0.9e1 / 0.50e2 * t5673 * t6665 - 0.9e1 / … in func_pol()
[all …]
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| H A D | mgga_c_scan.c | 8236 t5673 = t459 * t1817; in func_pol()
8241 t5678 = t5673 * t5677; in func_pol()
8444 t5968 = t5673 * t5967; in func_pol()
12874 t18544 = t5673 * t5675 * t18542; in func_pol()
12876 t18548 = t5673 * t5675 * t18546; in func_pol()
12943 t18694 = t5673 * t18691 * t18692; in func_pol()
13540 t19868 = t5673 * t5675 * t19866; in func_pol()
13563 t19914 = t5673 * t19912 * t18692; in func_pol()
13645 t20086 = t5673 * t5966 * t18542; in func_pol()
13647 t20089 = t5673 * t5966 * t18546; in func_pol()
[all …]
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| H A D | mgga_x_mbeefvdw.c | 255 double t5673, t5674, t5677, t5679, t5680, t5696, t5697, t5699; in func_unpol() local
2835 t5673 = t1741 * t36; in func_unpol()
2836 t5674 = t5673 * t47; in func_unpol()
3321 t7322 = t5673 * t355; in func_unpol()
5433 t16233 = t5673 * t1120; in func_unpol()
6439 t21040 = t5673 * t375; in func_unpol()
6591 t22037 = t5673 * t1366; in func_unpol()
7009 t24027 = t5673 * t507; in func_unpol()
8794 double t5673, t5676, t5681, t5682, t5686, t5688, t5690, t5692; in func_ferr() local
11296 t5673 = t121 * t46; in func_ferr()
[all …]
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| H A D | mgga_x_2d_prhg07.c | 205 double t5629, t5642, t5643, t5658, t5659, t5666, t5672, t5673; in func_unpol() local
1827 t5673 = t375 * t199; in func_unpol()
1828 …13 / 0.2e1 - t5666 * t54 * t368 / 0.2e1 - t5672 - t5673 * t141 / 0.2e1 + t5673 * t1610 / 0.2e1 + t… in func_unpol()
2398 double t5653, t5662, t5663, t5670, t5673, t5682, t5693, t5695; in func_ferr() local
4063 t5673 = t1584 * t1566; in func_ferr()
4066 …t4439 * t1577 - 0.25e2 / 0.4e1 * t4416 * t5670 + 0.15e2 / 0.4e1 * t4416 * t5673 - t4455 * t380 / 0… in func_ferr()
4115 …t4893 * t1577 - 0.25e2 / 0.4e1 * t4883 * t5670 + 0.15e2 / 0.4e1 * t4883 * t5673 + 0.3e1 / 0.2e1 * … in func_ferr()
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| H A D | mgga_x_mn12.c | 186 double t5626, t5627, t5661, t5666, t5673, t5688, t5705, t5707; in func_unpol() local
1589 t5673 = t190 * t54; in func_unpol()
1590 … * t485 * t5221 - 0.16000e5 / 0.9e1 * t190 * t5233 + 0.20000e5 / 0.27e2 * t5673 * t5175 + 0.54400e… in func_unpol()
1729 …7e2 * t193 * t6836 + 0.2600e4 / 0.3e1 * t190 * t6862 - 0.4000e4 / 0.9e1 * t5673 * t6961 + 0.440e3 … in func_unpol()
1788 ….3e1 * t193 * t8292 - 0.1120e4 / 0.3e1 * t190 * t8271 + 0.800e3 / 0.3e1 * t5673 * t8275 + 0.520e3 … in func_unpol()
1854 …4 * t491 - 0.1280e4 * t5661 * t9420 - 0.800e3 * t5666 * t9420 - 0.160e3 * t5673 * t9420) * sigma[0… in func_unpol()
2079 double t5601, t5605, t5641, t5673, t5685, t5692, t5711, t5729; in func_ferr() local
3270 …t5673 = -0.16000e5 / 0.9e1 * t2351 * t4925 - 0.32000e5 / 0.3e1 * t1211 * t4928 - 0.160000e6 / 0.9e… in func_ferr()
3289 … (t5053 + t5089 + t5231 + t5274 + t5320 + t5371 + t5453 + t5605 + t5641 + t5673 + t5711 + t5804 + … in func_ferr()
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| H A D | mgga_c_bc95.c | 2397 double t5673, t5674, t5676, t5679, t5680, t5682, t5684, t5686; in func_pol() local
6394 t5673 = t5672 * t756; in func_pol()
6395 t5674 = t85 * t5673; in func_pol()
9724 t16761 = t291 * t5673; in func_pol()
9726 t16764 = t307 * t5673; in func_pol()
9985 t18316 = t481 * t5673; in func_pol()
9986 t18318 = t490 * t5673; in func_pol()
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| H A D | mgga_x_tm.c | 4250 double t5655, t5656, t5659, t5662, t5669, t5670, t5673, t5676; in func_pol() local
6820 t5673 = t4382 * t484; in func_pol()
6824 …* t1637 - 0.36e2 * t1203 * t1634 - t5670 + 0.162e3 * t3346 * t1631 - 0.18e2 * t341 * t5673 - t5678; in func_pol()
8723 …379 + 0.162e3 * t9180 * t1631 + 0.162e3 * t3346 * t4296 - 0.18e2 * t913 * t5673 - 0.648e3 * t8209 … in func_pol()
9533 …* t1203 * t5662 - 0.72e2 * t341 * t11723 * t1615 - 0.72e2 * t4338 * t1637 - 0.72e2 * t1203 * t5673; in func_pol()
9693 …t584 - 0.36e2 * t1203 * t6061 - 0.36e2 * t5012 * t1634 - 0.18e2 * t1448 * t5673 - 0.18e2 * t4338 *… in func_pol()
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| H A D | mgga_k_pc07.c | 4158 double t5655, t5665, t5668, t5670, t5673, t5677, t5681, t5685; in func_ferr() local
6110 t5673 = t4003 * t217; in func_ferr()
6116 …43778e1 * t5677 * t1425 + 0.97002e1 * t1746 * t1425 - 0.1878044146428e1 * t5673 * t5166 + 0.469511… in func_ferr()
6128 …t5776 = 0.16167e1 * t5670 * t79 - 0.50707191953556e2 * t5673 * t995 * t79 - 0.4704694002e2 * t5677… in func_ferr()
6476 … t439 * t181 * t310 + 0.3136462668e2 * t729 * t366 - 0.50707191953556e2 * t5673 * t181 * t7805 - 0… in func_ferr()
6552 …325425041e-1 * t5447 * t4839 + 0.58082642e0 * t7711 - 0.1878044146428e1 * t5673 * t8203 + 0.64668e… in func_ferr()
7033 …04e2 * t2235 * t2098 - 0.784115667e1 * t551 * t689 - 0.50707191953556e2 * t5673 * t639 * t2451 - 0… in func_ferr()
7120 …10778e1 * t1736 * t2974 - 0.10778e1 * t11239 * t491 - 0.1878044146428e1 * t5673 * t12036 - 0.34849… in func_ferr()
7580 …* t639 * t79 - 0.11268264878568e2 * t10188 * t1792 - 0.50707191953556e2 * t5673 * t2968 * t79 - 0.… in func_ferr()
7585 …7556e2 * t1751 * t15609 - 0.32334e1 * t2234 * t2974 - 0.1878044146428e1 * t5673 * t15609 - 0.52274… in func_ferr()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_ml1.c | 485 double t5658, t5660, t5661, t5662, t5663, t5664, t5670, t5673; in func_pol() local
2653 t5673 = t276 * t501 * t2093; in func_pol()
2665 …t5704 = 0.26265909022844765013e0 * t5670 + 0.13132954511422382506e0 * t5673 + 0.437765150380746083… in func_pol()
3235 … * t5662 + 0.17510606015229843342e0 * t5670 + 0.87553030076149216708e-1 * t5673 + 0.78797727068534… in func_pol()
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| H A D | lda_c_pk09.c | 2558 double t5664, t5668, t5670, t5672, t5673, t5676, t5685, t5686; in func_pol() local
5255 t5673 = t1295 * t5672; in func_pol()
5256 ….2e1 * t5664 * t1485 + 0.59648145914819633120e1 * t5670 + 0.19882715304939877707e1 * t5673 * t1463; in func_pol()
6278 …549160303334e2 * t9587 * t317 * t318 * t9590 + 0.99413576524699388535e0 * t5673 * t2482 - 0.809172… in func_pol()
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