/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_c_tpssloc.c | 11430 t5333 = t77 * t1018; in func_pol() 19347 t25806 = t5333 * t6131; in func_pol() 19473 t26024 = t5333 * t6127; in func_pol() 19780 t26780 = t5333 * t6391; in func_pol() 20407 t28551 = t5333 * t6671; in func_pol() 33136 t100125 = t5333 * t24211; in func_pol() 33137 t100127 = t5333 * t24326; in func_pol() 34540 t105160 = t5333 * t24893; in func_pol() 34550 t105198 = t5333 * t24872; in func_pol() 35217 t109763 = t5333 * t25801; in func_pol() [all …]
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H A D | hyb_mgga_x_dldf.c | 1236 double t5272, t5296, t5309, t5310, t5312, t5314, t5333, t5334; in func_pol() local 3510 t5333 = 0.65584001500631438370e-3 * t469 * t738; in func_pol() 3513 …v4rho2sigma2[5] = t5333 + 0.52467201200505150696e-2 * t5334 + 0.65584001500631438370e-3 * t1582 * … in func_pol() 3538 …v4rho2sigma2[11] = t5333 + 0.26233600600252575348e-2 * t5334 + 0.26233600600252575348e-2 * t5370 +… in func_pol() 3556 … * t225 * sigma[2] - 0.20986880480202060278e-1 * t5386 + 0.39350400900378863022e-2 * t5392 + t5333; in func_pol()
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H A D | hyb_mgga_x_js18.c | 8686 double t5324, t5325, t5326, t5333, t5336, t5341, t5342, t5350; in func_pol() local 12096 t5333 = t3947 * t5325; in func_pol() 15197 …t5333 - 0.10531842222222222222e-1 * t1630 * t3855 + 0.56169825185185185185e-1 * t1630 * t3861 - 0.… in func_pol() 16070 …+ 0.196e3 / 0.405e3 * t5317 * t5333 - 0.21063684444444444444e-1 * t5310 * t1638 + 0.20469310008230… in func_pol() 20294 … - 0.10531842222222222222e-1 * t2615 * t5342 + 0.98e2 / 0.405e3 * t9727 * t5333 - 0.10531842222222… in func_pol() 20450 …16785 + 0.196e3 / 0.405e3 * t10600 * t5333 + 0.196e3 / 0.405e3 * t3282 * t16819 + 0.196e3 / 0.405e… in func_pol() 20771 …t49683 = 0.196e3 / 0.135e3 * t12847 * t5333 + 0.98e2 / 0.135e3 * t12853 * t5333 + 0.30703965012345… in func_pol() 21759 …t5333 + 0.35e2 / 0.81e2 * t19025 * t1184 * t340 - 0.21063684444444444445e-1 * t4888 * t5314 - 0.21… in func_pol() 22018 …t5333 + 0.40938620016460905352e-1 * t16577 * t5333 - 0.784e3 / 0.675e3 * t5317 * t16802 - 0.421273… in func_pol() 22456 …71604938e1 * t63946 * t5832 - 0.70434811654320987652e-1 * t1097 * t1763 * t5333 - 0.70434811654320… in func_pol() [all …]
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H A D | mgga_x_mbeef.c | 2988 t5333 = t56 * t79; in func_unpol() 2989 t5334 = t5333 * t44; in func_unpol() 3277 t6651 = t5333 * t461; in func_unpol() 3394 t6846 = t5333 * t2105; in func_unpol() 3900 t8910 = t5333 * t4282; in func_unpol() 4268 t10535 = t5333 * t3637; in func_unpol() 4779 t12527 = t5333 * t4286; in func_unpol() 5175 t14288 = t5333 * t4790; in func_unpol() 6927 t22228 = t5333 * t5631; in func_unpol() 7710 t26569 = t5333 * t1059; in func_unpol() [all …]
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H A D | mgga_x_edmgga.c | 1797 double t5309, t5313, t5320, t5333, t5337, t5345, t5358, t5372; in func_ferr() local 2933 t5333 = t537 * t127; in func_ferr() 2934 … 0.53114609167735973502e-1 * t826 * t1422 * t1208 - 0.12461621718547169973e1 * t830 * t301 * t5333; in func_ferr() 3177 …25678e2 * t2537 * t2142 * t484 + 0.15934382750320792050e0 * t826 * t343 * t5333 - 0.37384865155641… in func_ferr() 3184 …03e4 * t3884 * t3584 * t5345 + 0.10488523547622316684e3 * t1352 * t1256 * t5333 - 0.11432585570925… in func_ferr() 3185 …71188e1 * t256 * t1344 * t2236 - 0.76217237139506171188e1 * t256 * t397 * t5333 - 0.76217237139506… in func_ferr() 3187 …39946e1 * t830 * t473 * t6415 + 0.53114609167735973502e-1 * t826 * t383 * t5333 - 0.15243447427901… in func_ferr()
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H A D | mgga_c_m05.c | 3231 double t5322, t5324, t5326, t5328, t5330, t5331, t5333, t5334; in func_pol() local 7030 t5333 = t433 * t1814; in func_pol() 7031 t5334 = t5333 * t1816; in func_pol() 11021 …0 - 0.30000000000000000000e1 * t5412 * t5330 - 0.30000000000000000000e1 * t5333 * t5330 - 0.100000… in func_pol() 11359 …327917994770140268e2 * t1837 * t1803 * t1806 - 0.40000000000000000000e1 * t5333 * t6060 + 0.177777… in func_pol() 11380 …3 + 0.55272355555555555556e1 * t6048 * t1428 - 0.40000000000000000000e1 * t5333 * t6051 - 0.100000… in func_pol() 11696 …1 + 0.15000000000000000000e1 * t6701 * t1071 - 0.30000000000000000000e1 * t5333 * t7218 - 0.120000… in func_pol() 12245 …t24815 = 0.10345202583854680060e4 * t5408 * t23702 * t5053 - 0.20000000000000000000e1 * t5333 * t7… in func_pol()
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H A D | mgga_x_mvs.c | 2079 double t5325, t5330, t5333, t5337, t5348, t5361, t5368, t5372; in func_pol() local 4871 …t5333 = -0.55000e5 / 0.2187e4 * t714 * t5287 - 0.1250e4 / 0.243e3 * t1995 * t5291 + 0.10000e5 / 0.… in func_pol() 4874 …t5361 = -0.25e2 / 0.48e2 * t421 * t5283 - t39 * t165 * t5333 / 0.4e1 - 0.55e2 / 0.108e3 * t5337 * … in func_pol()
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H A D | mgga_c_tpss.c | 9796 t5333 = t1275 * t1275; in func_pol() 9797 t5334 = t4926 * t5333; in func_pol() 9821 t5383 = t5333 * t114; in func_pol() 15021 t19564 = t25 * t5333 * t114; in func_pol() 16942 t24231 = t5333 * t23508; in func_pol() 16953 t24258 = t23504 * t5333; in func_pol() 17063 t24556 = t5333 * t1275; in func_pol() 25276 t73530 = t5041 * t5333; in func_pol() 25280 t73543 = t18367 * t5333; in func_pol() 25283 t73576 = t1201 * t5333; in func_pol() [all …]
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H A D | mgga_c_m06l.c | 5743 double t5329, t5331, t5332, t5333, t5334, t5335, t5337, t5338; in func_pol() local 10286 t5333 = t5332 * t142; in func_pol() 10287 t5334 = t5333 * t200; in func_pol() 10653 … - 0.17544670867903938621e1 * t6078 + t6083 + 0.15545350000000000000e-1 * t5333 + 0.46636050000000… in func_pol() 18426 …18 * t7720 - 0.58295062500000000000e-2 * t5282 * t1065 - 0.19431687500000000000e-2 * t5333 * t1065; in func_pol() 18480 … - 0.46636050000000000000e-1 * t5282 * t939 - 0.15545350000000000000e-1 * t5333 * t939 + 0.1500000… in func_pol() 19932 …+ 0.58295062500000000000e-2 * t5282 * t1278 + 0.19431687500000000000e-2 * t5333 * t1278 - 0.466360… in func_pol() 19953 …1687500000000000e-2 * t5333 * t1233 + t6248 * t1295 - 0.46636050000000000000e-1 * t5282 * t1229 - … in func_pol() 20652 …000000000000000001e0 * t792 * t5824 * t4207 - 0.19431687500000000000e-2 * t5333 * t1386 + 0.129315… in func_pol()
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H A D | mgga_x_tm.c | 2188 double t5301, t5304, t5307, t5308, t5333, t5334, t5343, t5346; in func_ferr() local 3523 t5333 = t3258 * t3259; in func_ferr() 3527 …42 * t5209 - 0.648e3 * t2142 * t5211 - 0.54e2 * t325 * t5308 - 0.9720e4 * t5333 * t5334 + 0.7776e4… in func_ferr() 3686 …42 * t6864 - 0.648e3 * t2142 * t6938 + 0.12e2 * t318 * t2601 - 0.9720e4 * t5333 * t6976 + 0.7776e4… in func_ferr() 3751 …25 * t7823 - 0.108e3 * t325 * t7828 - 0.108e3 * t325 * t7831 - 0.9720e4 * t5333 * t7838 + 0.7776e4… in func_ferr()
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H A D | mgga_x_scan.c | 3291 double t5314, t5315, t5325, t5328, t5330, t5333, t5334, t5338; in func_pol() local 6532 t5333 = params->c1 * t2624; in func_pol() 6533 t5334 = t5333 * t988; in func_pol() 8558 …t15083 = (0.875e3 / 0.1296e4 * t5108 - 0.625e3 / 0.2916e4 * t5333 * t236 * t14364 - 0.3125e4 / 0.2… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_hcth_a.c | 1613 double t5318, t5332, t5333, t5334, t5337, t5338, t5339, t5342; in func_pol() local 4514 t5333 = t1112 * t2078; in func_pol() 4515 t5334 = t5333 * t368; in func_pol() 4788 t6004 = t5333 * t651; in func_pol() 6813 …5 * t2078 / 0.1536e4 - t7919 * t5348 / 0.288e3 - t2516 * t5333 * t1052 / 0.288e3 + t2516 * t5333 *… in func_pol() 6823 t15248 = t5333 * t374; in func_pol() 6831 t15336 = t5333 * t405; in func_pol() 6833 t15345 = t5333 * t1145; in func_pol() 6834 t15349 = t5333 * t2941; in func_pol() 7050 …6 * t10287 * t2060 / 0.32e2 + t8140 * t10280 * t6011 / 0.512e3 - t16798 * t5333 * t1734 / 0.288e3 … in func_pol() [all …]
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H A D | gga_c_revtca.c | 1354 double t5324, t5326, t5327, t5329, t5331, t5332, t5333, t5334; in func_pol() local 4143 t5333 = t1604 * t231; in func_pol() 4144 t5334 = t5333 * t1624; in func_pol() 4415 t5944 = t5333 * t1773; in func_pol() 4574 t6362 = t5333 * t1894; in func_pol() 4695 t6717 = t5333 * t1969; in func_pol()
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H A D | gga_c_sogga11.c | 173 double t5329, t5333, t5336, t5339, t5342, t5388, t5430, t5472; in func_unpol() local 1381 t5333 = t5240 * t542; in func_unpol() 1384 …23768356e-1 * t2018 * t5329 - 0.17176509868210719063e-1 * t2017 * t4990 * t5333 - 0.29083885306936… in func_unpol() 1385 …t5333 - 0.23267108245548836799e1 * t2010 * t5336 - 0.77557027485162789330e0 * t2010 * t5339 + 0.96… in func_unpol() 1386 …94261014e-1 * t1974 * t5329 - 0.10305905920926431438e-1 * t1973 * t4990 * t5333 - 0.17450331184161… in func_unpol() 3093 double t5321, t5323, t5325, t5326, t5328, t5329, t5331, t5333; in func_pol() local 6433 t5333 = t1476 * t5153; in func_pol() 6445 …* t5329 + 0.14493495901320213021e-4 * t5331 - 0.72467479506601065103e-5 * t5333 + 0.17392195081584… in func_pol() 6534 t5466 = 0.14493495901320213020e-4 * t5333; in func_pol() 6588 …* t5329 + 0.57973983605280852078e-4 * t5331 - 0.28986991802640426039e-4 * t5333 + 0.69568780326337… in func_pol()
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H A D | gga_c_zpbeint.c | 2068 double t5327, t5328, t5329, t5330, t5331, t5332, t5333, t5334; in func_pol() local 5690 t5333 = t4021 * t5332; in func_pol() 5691 t5334 = t1305 * t5333; in func_pol() 8764 t18442 = t4034 * t5333; in func_pol() 8773 t18477 = t12325 * t5333; in func_pol() 8991 t19698 = t13837 * t5333; in func_pol() 9398 t21163 = t4896 * t5333; in func_pol()
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H A D | gga_c_bmk.c | 1529 double t5332, t5333, t5335, t5338, t5344, t5345, t5346, t5349; in func_pol() local 4372 t5333 = t168 * t5332; in func_pol() 4389 …t5368 = -0.10329500000000000000e1 * t5329 + 0.30988500000000000000e1 * t5333 - 0.10419500000000000… in func_pol() 4395 …66 + 0.4e1 / 0.3e1 * t5370 - 0.2e1 / 0.3e1 * t5329 - 0.2e1 * t5373 + 0.2e1 * t5333 - t5363 / 0.3e1; in func_pol() 4473 …1 * t5329 - 0.10274000000000000000e0 * t5373 + 0.10274000000000000000e0 * t5333 - 0.17123333333333… in func_pol()
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H A D | gga_c_op_b88.c | 878 double t5311, t5313, t5327, t5331, t5333, t5350, t5384, t5398; in func_pol() local 3069 t5333 = t1228 * t1673; in func_pol() 3071 …24 * t446 + 0.10803461400000000000e2 * t5331 - 0.54017307000000000000e1 * t5333 - 0.27008653500000… in func_pol() 3097 …52) * t81 + 0.43213845600000000000e2 * t5331 - 0.21606922800000000000e2 * t5333 + 0.21606922800000… in func_pol()
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H A D | gga_c_scan_e0.c | 1655 double t5326, t5327, t5329, t5330, t5331, t5332, t5333, t5334; in func_pol() local 4504 t5333 = 0.31168546390226634765e3 * t4490; in func_pol() 4508 …- t5323 - t5325 - t4097 - t5327 - t4100 - t4103 - t5330 + t5332 - t4168 + t5333 + t4495 + t5334 + … in func_pol() 4715 …t6174 = 0.9e1 * t572 * t1902 * t598 - t4100 - t4103 - t4168 + t4495 - t5330 + t5332 + t5333 + t533… in func_pol()
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H A D | gga_c_pbe.c | 1624 double t5319, t5332, t5333, t5341, t5342, t5346, t5347, t5348; in func_pol() local 4347 …t5333 = t4652 - t4654 + t4658 - t4661 - t4663 + t4667 + t4671 - t4674 + t4678 + t4681 + t4685 + t4… in func_pol() 4356 …736694323150897e2 * t1604 + t7 * (t4290 + t4373 + t5304 + t5316 + t5332 + t5333 + t5341 + t5352) +… in func_pol()
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H A D | gga_x_hjs_b88_v2.c | 206 double t5316, t5319, t5320, t5321, t5324, t5325, t5331, t5333; in func_unpol() local 1846 t5333 = t5229 + t5260 + t5292 + t5331; in func_unpol() 1847 t5334 = t38 * t5333; in func_unpol() 2831 t13454 = t37 * t5333 * t210; in func_unpol() 6658 double t5332, t5333, t5336, t5337, t5338, t5341, t5344, t5345; in func_pol() local 10201 t5333 = t5330 * t5332; in func_pol() 10219 …* t1263 / 0.6e1 + t3192 * t5321 / 0.6e1 + t901 * t5327 / 0.24e2 + t3206 * t5333 / 0.48e2 - t3206 *… in func_pol() 13943 …t17746 = t11039 * t5333 / 0.48e2 - t14829 * t1263 / 0.6e1 + t14818 * t17717 / 0.9e1 + 0.2e1 / 0.9e… in func_pol() 14345 …206 * t19791 / 0.32e2 + t3206 * t19794 / 0.32e2 - t17721 * t1263 / 0.4e1 + t14822 * t5333 / 0.16e2; in func_pol() 21392 … t5476 * t977 / 0.2e1 - 0.18e2 * t46316 * t1301 * t5476 * t977 + t46424 * t5333 / 0.16e2 - t46424 … in func_pol() [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 365 t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, & local 2334 t5333 = 0.8333333340e-1_dp*t906*t84*t5330 2340 + t5333 - t5335 - t5338 - t5342 2742 *t597*t2061 - 0.3333333336e0_dp*t83*t84*t6375 + t5333 - t5335 & 3144 t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, t5342, & local 5110 t5333 = 0.8333333340e-1_dp*t906*t84*t5330 5116 + t5333 - t5335 - t5338 - t5342 5518 *t597*t2061 - 0.3333333336e0_dp*t83*t84*t6375 + t5333 - t5335 &
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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 365 t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, & local 2334 t5333 = 0.8333333340e-1_dp*t906*t84*t5330 2340 + t5333 - t5335 - t5338 - t5342 2742 *t597*t2061 - 0.3333333336e0_dp*t83*t84*t6375 + t5333 - t5335 & 3144 t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, t5342, & local 5110 t5333 = 0.8333333340e-1_dp*t906*t84*t5330 5116 + t5333 - t5335 - t5338 - t5342 5518 *t597*t2061 - 0.3333333336e0_dp*t83*t84*t6375 + t5333 - t5335 &
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_xc_bn05.c | 997 double t5330, t5333, t5334, t5337, t5338, t5339, t5343, t5346; in func_pol() local 3171 t5333 = 0.120e3 * t968 * t1049; in func_pol() 3182 …t5358 = 0.16e2 * t5299 - 0.16e2 * t5301 + t129 * t5327 * t161 + 0.48e2 * t5330 + t5333 + t5337 - t… in func_pol() 3762 … 0.3e1 * t5291 + t5294 - 0.24e2 * t5296 - 0.4e1 * t5299 - 0.4e1 * t5301 + t5333 + t5337 + 0.60e2 *… in func_pol() 4076 … 0.24e2 * t5286 - 0.8e1 * t5288 + t5291 - 0.8e1 * t5296 - 0.8e1 * t5330 + t5333 + 0.20e2 * t9909 +… in func_pol() 4132 …t10376 = t5272 + t5276 - t7922 - t5279 - t5282 - t5285 - 0.12e2 * t5286 - t7924 + t5333 + 0.60e2 *… in func_pol() 4290 …t11869 = t11863 * t129 * t161 + t5272 + t5276 - t5279 - t5282 - t5285 + t5333 + t5337 - 0.480e3 * … in func_pol()
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H A D | lda_x_erf.c | 589 double t5301, t5304, t5320, t5322, t5329, t5333, t5336, t5337; in func_pol() local 2406 t5333 = t23 * t131 * t2039; in func_pol() 2409 …* t5278 - t4040 / 0.27e2 + 0.4e1 / 0.27e2 * t4043 + 0.2e1 * t90 * t5329 - t5333 / 0.9e1 + t5337 + … in func_pol() 2800 …0.4e1 / 0.81e2 * t4043 + 0.2e1 * t90 * (t7685 + t7708) - 0.2e1 / 0.27e2 * t5333 + 0.16e2 / 0.81e2 … in func_pol()
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H A D | lda_c_ml1.c | 475 double t5314, t5318, t5322, t5327, t5331, t5333, t5338, t5347; in func_pol() local 2571 t5333 = t199 * t1306; in func_pol() 2776 t6128 = t116 * t5333; in func_pol() 3195 …03296e0 * t42 * t5322 * t1660 - 0.59098295301400721280e1 * t5225 * t165 * t5333 - 0.17729488590420… in func_pol()
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