| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_lyp.c | 595 double t4270, t4273, t4284, t4288, t4289, t4291, t4293, t4296; in func_pol() local
2294 t4296 = t132 * t597 * t1233; in func_pol()
2304 …289 - 0.8e1 / 0.9e1 * t4291 + 0.28e2 / 0.27e2 * t4293 + 0.28e2 / 0.27e2 * t4296 - 0.4e1 / 0.9e1 * … in func_pol()
2439 …88 - 0.16e2 / 0.9e1 * t4291 + 0.56e2 / 0.27e2 * t4293 + 0.56e2 / 0.27e2 * t4296 - 0.8e1 / 0.9e1 * … in func_pol()
2540 …t5759 = t4375 - t4289 - 0.8e1 / 0.3e1 * t4291 + 0.28e2 / 0.9e1 * t4293 + 0.28e2 / 0.9e1 * t4296 - … in func_pol()
2594 … - 0.32e2 / 0.9e1 * t4291 + 0.112e3 / 0.27e2 * t4293 + 0.112e3 / 0.27e2 * t4296 - 0.16e2 / 0.9e1 *… in func_pol()
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| H A D | gga_c_acggap.c | 4119 double t4295, t4296, t4297, t4299, t4303, t4307, t4310, t4311; in func_pol() local
8404 t4296 = t4295 * t1096; in func_pol()
13100 …841842183e-2 * t4296 * t1099 * t517 * t2907 - 0.25724410870841842183e-2 * t1496 * t1099 * t517 * t… in func_pol()
13259 … * t16403 - 0.77173232612525526551e-2 * t4296 * t1150 * t1439 * t4297 * t344 + 0.77173232612525526… in func_pol()
14233 …t20528 = -0.77173232612525526552e-2 * t4296 * t1099 * t5708 * t4297 - 0.34299214494455789578e-1 * … in func_pol()
14252 …8e-2 * t1149 * t1150 * t1470 * t6206 * t344 + 0.51448821741683684367e-2 * t4296 * t1099 * t5913 * … in func_pol()
14302 …3684368e-2 * t1149 * t1099 * t4265 * t20645 + 0.51448821741683684367e-2 * t4296 * t1099 * t1470 * … in func_pol()
14511 …t17366 - 0.85748036236139473944e-3 * t13502 - 0.12862205435420921092e-2 * t4296 * t1099 * t5708 * … in func_pol()
14648 …t18155 + 0.34299214494455789578e-2 * t18157 - 0.12862205435420921092e-2 * t4296 * t1099 * t5703 * … in func_pol()
15182 …0.96e2 - 0.68026775414003982661e-1 * t22935 + 0.25724410870841842184e-2 * t4296 * t1099 * t26189 *… in func_pol()
[all …]
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| H A D | gga_x_am05.c | 1762 double t4279, t4295, t4296, t4299, t4300, t4303, t4306, t4307; in func_pol() local
3415 t4296 = t711 * t711; in func_pol()
3416 t4299 = 0.1e1 / t98 / t4296 / rho[1]; in func_pol()
3564 t5192 = 0.1e1 / t98 / t4296; in func_pol()
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| H A D | gga_c_pbe.c | 1591 double t4292, t4293, t4294, t4296, t4299, t4306, t4308, t4310; in func_pol() local
4084 t4296 = t1391 * t526; in func_pol()
4085 t4299 = 0.61524113149298439947e4 * t235 * t1387 * t512 * t4296; in func_pol()
4267 …6862e1 * t606 * t145 * t1485 * t1487 + 0.61524113149298439947e4 * t1442 * t4296 * t512 - 0.2482848… in func_pol()
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| H A D | gga_c_zvpbeint.c | 2406 double t4296, t4297, t4298, t4299, t4300, t4302, t4303, t4304; in func_pol() local
5604 t4296 = t4115 * t328; in func_pol()
5605 t4297 = t1370 * t4296; in func_pol()
8362 t13149 = t4329 * t4296; in func_pol()
8479 t13427 = t13415 * t4296; in func_pol()
8877 t14764 = t14763 * t4296; in func_pol()
9896 t19191 = t5401 * t4296; in func_pol()
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| H A D | gga_x_sfat_pbe.c | 3376 double t4260, t4261, t4262, t4263, t4286, t4287, t4295, t4296; in func_pol() local
5608 t4296 = t435 * t437; in func_pol()
5609 t4297 = t4296 * sigma[2]; in func_pol()
7097 …7e-2 * t267 * t415 * t26 * t1692 * t156 - 0.25860769054629275301e-7 * t267 * t4218 * t4296 * t1013; in func_pol()
7691 …167803670e-6 * t5196 * t5197 - 0.12122235494357472797e-8 * t267 * t8134 * t4296 - 0.35194866011624… in func_pol()
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| H A D | gga_c_zvpbeloc.c | 2186 double t4296, t4299, t4300, t4302, t4303, t4304, t4306, t4308; in func_pol() local
4983 t4296 = t4295 * t676; in func_pol()
4984 … + t4281 + 0.16449340668482264365e-1 * t4285 + 0.2e1 * t329 * t1520 - t4294 + 0.2e1 * t333 * t4296; in func_pol()
7843 …6793095e-1 * t14334 + 0.49348022005446793095e-1 * t14337 + 0.6e1 * t660 * t4296 - 0.57572692339687… in func_pol()
8347 … - t14397 - 0.2e1 * t1088 * t4441 - t333 * t5085 * t882 + 0.2e1 * t1088 * t4296 - t1088 * t4300 - … in func_pol()
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| H A D | gga_xc_b97.c | 1825 double t4296, t4297, t4298, t4299, t4300, t4301, t4302, t4303; in func_pol() local
4486 t4296 = t1062 * t1152; in func_pol()
4487 t4297 = 0.15000000000000000000e1 * t4296; in func_pol()
6952 …1 * t4291 + 0.12000000000000000000e2 * t4294 + 0.60000000000000000000e1 * t4296 + 0.60000000000000… in func_pol()
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| H A D | gga_c_pw91.c | 2019 double t4293, t4295, t4296, t4297, t4299, t4302, t4303, t4304; in func_pol() local
4899 t4296 = 0.23260393291413087447e-1 * t4295; in func_pol()
4900 …t4297 = 0.3e1 / 0.2e1 * t3633 + 0.3e1 * t3685 + t2003 + t4286 + t2035 + t4290 + t4293 + t4296 + t2… in func_pol()
7451 …- t7971 + t7873 + t2037 + t2039 + t4290 + 0.3e1 / 0.2e1 * t3693 + t4293 + t4296 + t7878 - t7879 + … in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 273 t4296,t4298,t4300,t4307,t4316,t4318,t4325,t4332,t4341,t4358,t4373,t4386,& local
2293 t4296 = t2331 * t648
2298 …t4292 + .CONVERT."0.28449964032E11" * t4294 + .CONVERT."0.96865353728E11" * t4296 + .CONVERT."0.52…
2558 * t4294 + .CONVERT."0.12689361338368E14" * t4296 + .CONVERT."0.5864756871168E13" * t4298 &
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| /dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 273 t4296,t4298,t4300,t4307,t4316,t4318,t4325,t4332,t4341,t4358,t4373,t4386,& local
2293 t4296 = t2331 * t648
2298 …t4292 + .CONVERT."0.28449964032E11" * t4294 + .CONVERT."0.96865353728E11" * t4296 + .CONVERT."0.52…
2558 * t4294 + .CONVERT."0.12689361338368E14" * t4296 + .CONVERT."0.5864756871168E13" * t4298 &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_cs.c | 813 double t4296, t4307, t4319, t4332, t4337, t4345, t4356, t4358; in func_pol() local
2923 t4296 = t4295 * t184; in func_pol()
2930 … * t184 - 0.15104161600000000000e-2 * t4293 - 0.10962418720000000000e-2 * t4296 - 0.70284698645333… in func_pol()
2965 …* t4287 - 0.45312484800000000000e-2 * t4293 - 0.32887256160000000000e-2 * t4296 - 0.10542704796800… in func_pol()
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| H A D | mgga_x_scanl.c | 222 double t4286, t4290, t4291, t4296, t4297, t4300, t4303, t4307; in func_unpol() local
2231 t4296 = t1486 * t275; in func_unpol()
2232 t4297 = t1176 * t4296; in func_unpol()
5579 double t4296, t4297, t4303, t4304, t4314, t4317, t4318, t4321; in func_ferr() local
7593 t4296 = t1691 * t122; in func_ferr()
9424 …t4296 * t1005 * t273 * t1124 + 0.4e1 * t168 * t270 * t4657 * t140 + 0.96e2 * t2695 * t1520 * t273 … in func_ferr()
10227 …t4296 * t20781 - 0.192e3 * t20863 * t20865 - 0.72e2 * t4296 * t20868 - t168 * t273 * t6185 - 0.24e… in func_ferr()
10994 double t4284, t4286, t4288, t4289, t4291, t4293, t4296, t4297; in func_pol() local
14376 t4296 = t1286 * t1037 * t1339; in func_pol()
14377 t4297 = t1001 * t4296; in func_pol()
[all …]
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| H A D | mgga_c_vsxc.c | 203 double t4262, t4267, t4275, t4278, t4283, t4284, t4287, t4296; in func_unpol() local
1735 …t4296 = 0.2048e4 * t1669 * t4241 + 0.96e2 * t4254 * t762 - 0.48e2 * t1999 * t4257 + 0.48e2 * t2006… in func_unpol()
1736 …+ 0.13309410491666666666e-3 * t440 * t163 * t4209 * t95 + t120 * (t4251 + t4296) + 0.4436470163888… in func_unpol()
3285 double t4295, t4296, t4297, t4298, t4299, t4300, t4301, t4302; in func_pol() local
6528 t4296 = t974 * t412; in func_pol()
6529 t4297 = t4296 * t436; in func_pol()
6995 t5285 = t4296 * t633; in func_pol()
11165 …000000000e0 * t4506 * t680 + t12948 - t12951 + 0.10000000000000000000e1 * t4296 * t1954 + 0.200000… in func_pol()
11196 …000000000000000000e1 * t1354 * t1355 * t6086 + 0.50000000000000000001e0 * t4296 * t1945 + 0.600000… in func_pol()
12209 …t23300 = 0.11659012500000000000e-1 * t4406 * t7439 + 0.50000000000000000001e0 * t4296 * t2456 - 0.… in func_pol()
[all …]
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| H A D | mgga_x_revtm.c | 4761 double t4287, t4291, t4292, t4294, t4296, t4298, t4300, t4302; in func_pol() local
6888 t4296 = t1635 * t362; in func_pol()
6891 …t4302 = 0.2e1 * t4285 + 0.4e1 * t4287 + 0.2e1 * t4292 + 0.18e2 * t4294 + 0.36e2 * t4296 + 0.18e2 *… in func_pol()
6902 …* t4323 + 0.12e2 * t4304 * t365 + 0.12e2 * t372 * t4294 + 0.24e2 * t372 * t4296 + 0.12e2 * t372 * … in func_pol()
6911 …334 - 0.648e3 * t3891 * t4323 - 0.24e2 * t3894 * t1637 - 0.24e2 * t1372 * t4296 - 0.12e2 * t1372 *… in func_pol()
8900 …69 - 0.12e2 * t1644 * t3044 + 0.162e3 * t10352 * t1651 - 0.72e2 * t3894 * t4296 + 0.324e3 * t3884 … in func_pol()
9320 ….648e3 * t3891 * t14747 - 0.62888224691358024691e-1 * t3618 * t159 * t673 - 0.24e2 * t4962 * t4296; in func_pol()
9341 … - 0.108e3 * t10421 * t1651 + 0.648e3 * t10751 * t4323 + 0.24e2 * t1358 * t4296 + 0.12e2 * t1358 *… in func_pol()
9379 …10e2 + 0.2e1 * t1642 * t1408 - 0.24e2 * t13081 * t1637 - 0.24e2 * t4976 * t4296 - 0.12e2 * t4976 *… in func_pol()
9586 …16 + 0.108e3 * t3881 * t6058 + 0.108e3 * t3884 * t6058 - 0.48e2 * t5568 * t4296 - 0.24e2 * t5568 *… in func_pol()
[all …]
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| H A D | mgga_k_pc07.c | 203 double t4296, t4297, t4302, t4305, t4308, t4311, t4312, t4321; in func_unpol() local
1934 t4296 = t1005 * t361; in func_unpol()
1935 t4297 = t2415 * t4296; in func_unpol()
1938 t4308 = t2392 * t4296; in func_unpol()
2027 … 0.1568231334e2 * t365 * t4691 * t4162 + 0.3136462668e2 * t1055 * t4691 * t4296 - 0.3e1 * t80 * t1… in func_unpol()
2039 …t4834 = -0.8451198658926e1 * t1055 * t4788 * t4296 + 0.291006e2 * t1423 * t72 * t1508 - 0.25353595… in func_unpol()
2082 …29 - 0.2352347001e2 * t4102 * t4967 - 0.33804794635704e2 * t356 * t4730 * t4296 - 0.1164024e3 * t4… in func_unpol()
2091 …t1345 * t1076 + 0.16167e1 * t4710 * t87 + 0.6272925336e2 * t356 * t1310 * t4296 - 0.4225599329463e… in func_unpol()
2096 …765 + 0.582012e2 * t1088 * t1336 + 0.35422729667851722e1 * t356 * t4764 * t4296 + 0.261371889e1 * … in func_unpol()
2176 …8451198658926e1 * t1055 * t5489 * t4296 - 0.2352347001e2 * t4102 * t5494 + 0.35422729667851722e1 *… in func_unpol()
[all …]
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| H A D | mgga_x_vt84.c | 3471 double t4272, t4273, t4274, t4279, t4282, t4287, t4295, t4296; in func_ferr() local
5166 t4296 = t200 * t4295; in func_ferr()
5171 …7 - 0.37589596669527830645e1 * t1467 * t1497 + 0.75179193339055661291e1 * t4296 * t1519 - 0.375895… in func_ferr()
5279 …t4855 = -0.18794798334763915323e1 * t1818 * t4822 + 0.37589596669527830646e1 * t4296 * t4826 - 0.1… in func_ferr()
5607 … 0.4e1 * t2589 * t1587 - 0.4e1 * t750 * t749 - 0.93973991673819576616e0 * t4296 * t2696 + 0.626493… in func_ferr()
5616 …12529865556509276882e1 * t200 * t7187 * t502 + 0.12529865556509276882e1 * t4296 * t2377 - 0.125298… in func_ferr()
6733 double t4294, t4296, t4297, t4299, t4304, t4309, t4312, t4315; in func_pol() local
9297 t4296 = sigma[2] * t1211; in func_pol()
9298 t4297 = t82 * t4296; in func_pol()
11881 …159208922774169e-1 * t1716 * t13225 - 0.61327160493827160492e-1 * t3504 * t4296 * t468 + 0.1160172… in func_pol()
[all …]
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| H A D | mgga_c_b88.c | 2696 double t4270, t4271, t4274, t4275, t4281, t4284, t4293, t4296; in func_pol() local
5932 t4296 = t392 * t881; in func_pol()
5933 t4297 = t1285 * t4296; in func_pol()
8680 …0000e-1 * t396 * t45 * t12778 - 0.42000000000000000000e0 * t443 * t4017 * t4296 - 0.14000000000000… in func_pol()
9352 …3333333334e-1 * t1301 * t5586 + 0.42000000000000000000e0 * t443 * t1656 * t4296 + 0.28000000000000… in func_pol()
9357 …000e0 * t443 * t17831 * t1304 - 0.14000000000000000000e0 * t443 * t5592 * t4296 + 0.14000000000000… in func_pol()
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| H A D | mgga_x_br89.c | 3301 t4296 = t711 * t3929; in func_unpol()
17119 t4296 = t3173 * t471; in func_ferr()
22854 t31709 = t3350 * t4296; in func_ferr()
36283 t4296 = t1088 * t975; in func_pol()
36494 t4542 = t4270 * t4296; in func_pol()
39877 t9052 = t9011 * t4296; in func_pol()
40942 t10271 = t10231 * t4296; in func_pol()
43544 t13354 = t13280 * t4296; in func_pol()
45339 t15534 = t15517 * t4296; in func_pol()
46602 t17410 = t17365 * t4296; in func_pol()
[all …]
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| H A D | hyb_mgga_x_js18.c | 11801 t4296 = t468 * t1356; in func_pol()
16189 t20617 = t17032 * t4296; in func_pol()
16190 t20620 = t17065 * t4296; in func_pol()
19645 t40383 = t4296 * t1845; in func_pol()
21168 t53202 = t4296 * t4300; in func_pol()
22222 t62265 = t50915 * t4296; in func_pol()
22237 t62359 = t50887 * t4296; in func_pol()
22243 t62406 = t4296 * t506; in func_pol()
22816 t67352 = t4296 * t5857; in func_pol()
23405 t71870 = t62054 * t4296; in func_pol()
[all …]
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| H A D | mgga_x_tm.c | 4206 double t4296, t4299, t4302, t4305, t4308, t4309, t4312, t4315; in func_pol() local
6300 t4296 = t2581 * t1615; in func_pol()
6301 …* t4281 - 0.12e2 * t341 * t4286 - 0.12e2 * t341 * t4289 + 0.54e2 * t920 * t4296 - t4270 + t4274 - … in func_pol()
8141 …e2 * t341 * t9593 * t484 - 0.24e2 * t913 * t4289 - 0.24e2 * t913 * t4286 + 0.108e3 * t2578 * t4296; in func_pol()
8723 …30 - 0.18e2 * t1203 * t4379 + 0.162e3 * t9180 * t1631 + 0.162e3 * t3346 * t4296 - 0.18e2 * t913 * … in func_pol()
8934 …08e3 * t4322 * t4834 - 0.24e2 * t16666 * t1196 + 0.108e3 * t16669 * t1211 + 0.54e2 * t3801 * t4296; in func_pol()
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| H A D | mgga_c_m05.c | 3167 double t4296, t4297, t4298, t4299, t4300, t4301, t4302, t4311; in func_pol() local
6509 t4296 = t449 * t1158; in func_pol()
6510 t4297 = t4296 * t1163; in func_pol()
11047 …5 + 0.48245938496077605201e2 * t4293 * t5145 + 0.48245938496077605201e2 * t4296 * t5145 - 0.124142… in func_pol()
12064 …3 - 0.60307423120097006502e1 * t4293 * t7561 - 0.60307423120097006502e1 * t4296 * t7561 + 0.150000… in func_pol()
12082 …7 + 0.37500000000000000000e0 * t3973 * t2527 + 0.48245938496077605201e2 * t4296 * t7581 - 0.300000… in func_pol()
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| H A D | mgga_x_mggac.c | 266 double t4285, t4287, t4290, t4291, t4294, t4295, t4296, t4299; in func_unpol() local
3280 t4296 = t364 * t4295; in func_unpol()
6755 …t17606 = t2823 * t4296 / 0.9e1 - t3221 * t4296 / 0.4e1 + 0.3e1 / 0.2e1 * t17575 * t4896 + 0.6e1 * … in func_unpol()
23777 double t4287, t4288, t4292, t4293, t4294, t4295, t4296, t4297; in func_pol() local
30937 t4296 = t173 * t4295; in func_pol()
30938 t4297 = t4296 * t275; in func_pol()
32930 t7106 = t4296 * t457; in func_pol()
34257 t8843 = t4296 * t571; in func_pol()
43311 … t975 - 0.9e1 * t939 * t22334 * t941 + t4296 * t998 - 0.16e2 * t4390 * t4258 - t270 * t997 * t4398… in func_pol()
48321 …t41323 * t4247 - 0.2e1 / 0.3e1 * t41328 * t975 + t41333 * t1444 - t4296 * t2213 - t4296 * t2216 / … in func_pol()
[all …]
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| H A D | mgga_x_m06l.c | 144 double t4188, t4206, t4214, t4240, t4266, t4277, t4296, t4317; in func_unpol() local
1221 …t4296 = -0.4183991889120e-3 * t3589 * t1862 + 0.11536567981289824284e-2 * t425 * t272 * t387 - 0.2… in func_unpol()
1223 v4rhosigma2tau[0] = -t664 * t2234 / 0.4e1 - 0.3e1 / 0.16e2 * t155 * t156 * (t4266 + t4296); in func_unpol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 963 double t4288, t4289, t4290, t4296, t4298, t4299, t4301, t4302; in func_pol() local
2915 …t4296 = t4206 - t4210 - t4214 - t4218 - t4224 - t4228 + t4233 - t4237 - t4242 - t4246 + t4289 + t4… in func_pol()
2995 …v3rho3[3] = t11 * (t4296 + t4620) - 0.3e1 / 0.4e1 * t1416 - 0.3e1 / 0.8e1 * t1422 - 0.3e1 / 0.4e1 … in func_pol()
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