/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 2332 t5329 = 0.6666666672e0_dp*t83*t1694*t1447 2339 t5343 = -t5308 - t5311 - t5314 - t5317 - t5320 + t5323 - t5326 - t5329 & 2741 t6380 = -t5317 - t5320 + t5323 - t5326 - t5329 - 0.3333333336e0_dp*t83 & 3144 t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, t5342, & local 5108 t5329 = 0.6666666672e0_dp*t83*t1694*t1447 5115 t5343 = -t5308 - t5311 - t5314 - t5317 - t5320 + t5323 - t5326 - t5329 & 5517 t6380 = -t5317 - t5320 + t5323 - t5326 - t5329 - 0.3333333336e0_dp*t83 &
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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 2332 t5329 = 0.6666666672e0_dp*t83*t1694*t1447 2339 t5343 = -t5308 - t5311 - t5314 - t5317 - t5320 + t5323 - t5326 - t5329 & 2741 t6380 = -t5317 - t5320 + t5323 - t5326 - t5329 - 0.3333333336e0_dp*t83 & 3144 t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, t5342, & local 5108 t5329 = 0.6666666672e0_dp*t83*t1694*t1447 5115 t5343 = -t5308 - t5311 - t5314 - t5317 - t5320 + t5323 - t5326 - t5329 & 5517 t6380 = -t5317 - t5320 + t5323 - t5326 - t5329 - 0.3333333336e0_dp*t83 &
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_xc_th1.c | 624 double t5315, t5316, t5326, t5327, t5329, t5332, t5334, t5356; in func_pol() local 2178 t5329 = t169 * t489; in func_pol() 2180 …t5334 = 0.160e3 / 0.27e2 * t5327 + 0.80e2 / 0.3e1 * t2511 * t5329 + 0.16e2 / 0.3e1 * t5332 + t5109; in func_pol() 2183 t5406 = t2478 * t5329; in func_pol()
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H A D | gga_c_pw91.c | 2080 double t5317, t5320, t5323, t5329, t5330, t5334, t5342, t5353; in func_pol() local 5403 t5329 = t968 * t1817; in func_pol() 5404 t5330 = t5329 * t391; in func_pol() 5541 t5613 = t5329 * t503; in func_pol() 5785 t6032 = t5329 * t549; in func_pol() 8507 …381740120788830160e2 * t3335 * t5317 + 0.55636233534648050268e1 * t1261 * t5329 * t1051 - 0.278181… in func_pol() 8732 …788830162e2 * t1261 * t16151 * t5175 + 0.11127246706929610054e2 * t1261 * t5329 * t1326 + 0.556362… in func_pol() 8848 …301972075402e1 * t97 * t1254 * t5635 + 0.16690870060394415081e2 * t1261 * t5329 * t1550 + 0.166908… in func_pol() 9163 … - 0.51120455744277423615e0 * t18897 + 0.55636233534648050268e1 * t1261 * t5329 * t1633 + 0.556362… in func_pol() 9260 …20e2 * t1261 * t14910 * t549 * t1502 + 0.11127246706929610054e2 * t1261 * t5329 * t1765 - 0.278181… in func_pol() [all …]
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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 1380 t5329 = t1817 * t1639; in func_unpol() 1384 …78513742581394665e1 * t2014 * t5326 - 0.60282556860823768356e-1 * t2018 * t5329 - 0.17176509868210… in func_unpol() 1385 …t5329 - 0.13741207894568575250e-1 * t2009 * t4990 * t5333 - 0.23267108245548836799e1 * t2010 * t53… in func_unpol() 1386 …33554122774418399e1 * t1991 * t5030 - 0.36169534116494261014e-1 * t1974 * t5329 - 0.10305905920926… in func_unpol() 3093 double t5321, t5323, t5325, t5326, t5328, t5329, t5331, t5333; in func_pol() local 6431 t5329 = t5328 * t5161; in func_pol() 6445 …* t5323 - 0.52176585244752766875e-4 * t5326 + 0.57973983605280852082e-4 * t5329 + 0.14493495901320… in func_pol() 6532 t5464 = 0.11594796721056170416e-3 * t5329; in func_pol() 6588 …* t5323 - 0.20870634097901106748e-3 * t5326 + 0.23189593442112340830e-3 * t5329 + 0.57973983605280… in func_pol()
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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 4140 t5329 = t91 * t760; in func_pol() 4141 t5331 = t1683 * t475 * t5329 * t5324; in func_pol() 4301 t5684 = t5329 * t753; in func_pol() 5088 t8014 = t521 * t475 * t5329 * t2226; in func_pol()
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H A D | gga_x_chachiyo.c | 1454 double t5325, t5329, t5334, t5339, t5344, t5346, t5348, t5349; in func_pol() local 4495 t5329 = t5325 * t1477; in func_pol() 4499 …3 * t4808 * t5325 * t1496 - 0.32e2 / 0.2187e4 * t4801 * t5329 - 0.16e2 / 0.2187e4 * t1486 * t5329 … in func_pol()
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H A D | gga_c_op_pbe.c | 881 double t5329, t5336, t5339, t5342, t5353, t5358, t5367, t5373; in func_pol() local 3135 t5329 = t175 * t5328; in func_pol() 3141 …750895e2 * t5325 * t497 + 0.22851260223718202288e0 * t5329 * t506 + 0.35350703298987342961e0 * t53… in func_pol()
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H A D | gga_c_bmk.c | 1528 double t5323, t5324, t5325, t5326, t5327, t5328, t5329, t5331; in func_pol() local 4369 t5329 = t168 * t5328; in func_pol() 4389 …t5368 = -0.10329500000000000000e1 * t5329 + 0.30988500000000000000e1 * t5333 - 0.10419500000000000… in func_pol() 4395 …0.3e1 - 0.10e2 / 0.27e2 * t5366 + 0.4e1 / 0.3e1 * t5370 - 0.2e1 / 0.3e1 * t5329 - 0.2e1 * t5373 + … in func_pol() 4473 …* t5366 + 0.68493333333333333331e-1 * t5370 - 0.34246666666666666665e-1 * t5329 - 0.10274000000000… 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 4500 t5329 = t1893 * t1 * t226; in func_pol() 4501 t5330 = 0.54934341918019635162e-3 * t5329; in func_pol() 4987 t7426 = 0.36622894612013090108e-3 * t5329; in func_pol()
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H A D | gga_c_ft97.c | 6082 double t5314, t5318, t5322, t5326, t5329, t5331, t5334, t5336; in func_pol() local 13077 t5329 = t1212 * t1248; in func_pol() 13078 t5331 = t840 * t871 * t5329; in func_pol() 19297 t19651 = t840 * t2801 * t5329; in func_pol() 19384 t19870 = t5329 * t684; in func_pol() 20199 t22122 = t840 * t4160 * t5329; in func_pol() 20228 t22220 = t5329 * t1091; in func_pol() 24221 t31750 = t25350 * t5329; in func_pol() 24245 t31817 = t25031 * t5329; in func_pol() 24279 t31907 = t840 * t6353 * t5329; in func_pol() [all …]
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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 5686 t5329 = 0.3e1 * t5328; in func_pol() 5707 …t5352 = -t5326 + t5329 - t5331 - t5335 + t5337 + t5340 + t5047 + t4910 - t5049 + t5341 + t5235 - t… in func_pol() 8810 …t18758 = -t5326 + t5033 - t4922 - t5037 + t5040 + t5043 + t5329 - t5331 + t7 * (t18308 + t18321 + … in func_pol()
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H A D | gga_x_gg99.c | 3718 double t5325, t5327, t5328, t5329, t5330, t5332, t5333, t5334; in func_pol() local 6981 t5329 = 0.4e1 / 0.27e2 * t5328; in func_pol() 6995 …t5344 = -t5299 - t5301 + t5303 - t5305 - t5310 - t5315 - t5320 - t5325 - t5329 - t5334 - t5339 + t… in func_pol() 9176 …85 - t5289 + t5294 - t5299 - t5301 + t5303 - t5305 - t5310 - t5315 - t5320 - t5325 - t5329 - t5334; in func_pol()
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H A D | gga_c_zvpbeint.c | 2488 double t5319, t5320, t5321, t5323, t5324, t5328, t5329, t5332; in func_pol() local 6293 t5329 = 0.7e1 / 0.2304e4 * t5328; in func_pol() 6332 …t5396 = -t5324 / 0.1536e4 - t5329 - t5335 / 0.384e3 - t5340 / 0.1536e4 - 0.4e1 * t5343 * t1438 + 0… in func_pol() 6562 …t5696 = -t5646 / 0.1536e4 - t5329 - t5650 / 0.384e3 - t5654 / 0.1536e4 - 0.4e1 * t5343 * t1529 + 0… in func_pol()
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H A D | gga_c_pbeloc.c | 2133 double t5316, t5328, t5329, t5330, t5332, t5333, t5335, t5336; in func_pol() local 5483 t5329 = t1316 * t5328; in func_pol() 5484 t5330 = t4065 * t5329; in func_pol() 8382 t16698 = t13977 * t5329; in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_mbrxh_bg.c | 17942 t5329 = t5328 * t220; in func_pol() 17943 t5330 = t631 * t5329; in func_pol() 17969 t5376 = t5329 * t650; in func_pol() 18019 t5433 = t699 * t5329; in func_pol() 18061 t5475 = t5329 * t717; in func_pol() 18066 t5480 = t5329 * t1087; in func_pol() 19856 t7593 = t5329 * t1500; in func_pol() 20911 t8868 = t5329 * t1802; in func_pol() 25913 t24707 = t2434 * t5329; in func_pol() 25914 t24710 = t2440 * t5329; in func_pol() [all …]
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H A D | mgga_x_mbeef.c | 2985 t5329 = t53 * t83; in func_unpol() 2986 t5330 = t5329 * t44; in func_unpol() 3282 t6659 = t5329 * t461; in func_unpol() 3396 t6849 = t5329 * t2105; in func_unpol() 3904 t8918 = t5329 * t4282; in func_unpol() 4274 t10544 = t5329 * t3637; in func_unpol() 4790 t12545 = t5329 * t4286; in func_unpol() 6618 t20851 = t349 * t5329; in func_unpol() 6843 t22026 = t827 * t5329; in func_unpol() 6989 t22351 = t5329 * t713; in func_unpol() [all …]
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H A D | mgga_x_pbe_gx.c | 2662 double t5329, t5332, t5335, t5337, t5356, t5363, t5366, t5369; in func_pol() local 5643 t5329 = t123 * t1454 * t653; in func_pol() 5652 …t5374 = t5320 / 0.27e2 + 0.2e1 / 0.9e1 * t5323 + t5326 / 0.9e1 + t5329 / 0.9e1 + t5332 / 0.27e2 - … in func_pol() 5685 …- t5314 / 0.2e1 + t5320 / 0.9e1 + 0.2e1 / 0.3e1 * t5323 + t5326 / 0.3e1 + t5329 / 0.3e1 + t5332 / … in func_pol() 5743 …t6116 = 0.2e1 / 0.3e1 * t5329 + 0.2e1 / 0.9e1 * t5332 - 0.2e1 / 0.3e1 * t5654 - 0.2e1 * t5657 - 0.… in func_pol()
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H A D | mgga_c_scanl.c | 16509 t5330 = t5329 * t5286; in func_pol() 17704 t8224 = t5329 * t890; in func_pol() 18712 t10532 = t5329 * t1035; in func_pol() 19288 t12148 = t5329 * t3573; in func_pol() 20011 t13897 = t211 * t5329; in func_pol() 20650 t15715 = t5329 * t4261; in func_pol() 22784 t22002 = t5329 * t1558; in func_pol() 24804 t30569 = t5329 * t2585; in func_pol() 24811 t30621 = t898 * t5329; in func_pol() 24888 t30938 = t593 * t5329; in func_pol() [all …]
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H A D | mgga_x_tm.c | 4237 double t5316, t5321, t5324, t5329, t5332, t5335, t5338, t5347; in func_pol() local 6683 t5329 = t2001 * t413; in func_pol() 6723 …6 * t5324 - 0.9e1 / 0.50e2 * t3969 * t1498 + 0.171e3 / 0.1000e4 * t2774 * t5329 - 0.9e1 / 0.100e3 … in func_pol() 8585 ….9e1 / 0.50e2 * t2768 * t5332 - 0.9e1 / 0.25e2 * t2768 * t5324 + 0.171e3 / 0.500e3 * t8194 * t5329; in func_pol() 9241 … * t4989 - 0.9e1 / 0.100e3 * t2768 * t6490 + 0.171e3 / 0.1000e4 * t9475 * t5329 + 0.20962741563786… in func_pol() 9445 …t19455 = -0.10187892400000000000e2 * t3852 * t1470 * t5437 + 0.513e3 / 0.1000e4 * t10690 * t5329 -… in func_pol()
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H A D | mgga_k_pc07.c | 4150 double t5306, t5311, t5324, t5329, t5335, t5355, t5361, t5365; in func_ferr() local 6045 t5329 = t1500 * t2; in func_ferr() 6046 … t5324 * t1556 - 0.20e2 / 0.9e1 * t1547 * t1551 - 0.10e2 / 0.9e1 * t531 * t5329 * t124 - 0.3e1 * t… in func_ferr() 6389 …e1 * t7217 * t1535 - 0.13e2 / 0.15552e5 * t1814 + 0.5e1 / 0.36e2 * t531 * t5329 * t420 - t2169 * t… in func_ferr() 8130 double t5328, t5329, t5331, t5337, t5340, t5342, t5343, t5345; in func_pol() local 11193 t5329 = t5328 * t501; in func_pol() 11202 …t5360 = 0.5e1 / 0.9e1 * t3986 * t5324 + 0.13e2 / 0.15552e5 * t1494 - t317 * t5329 - t317 * t5331 +… in func_pol() 14276 …317 * t3243 * t144 * t501 - 0.2e1 * t317 * t5328 * t1331 - 0.2e1 * t807 * t5329 - 0.2e1 * t1079 * … in func_pol() 15580 …18e2 * t18071 * t1675 + 0.5e1 / 0.18e2 * t18075 * t1675 - 0.2e1 * t1079 * t5329 - 0.2e1 * t1079 * … in func_pol() 16091 …t7583 * t330 - t3205 * t1837 - 0.5e1 / 0.2916e4 * t7003 - 0.2e1 * t1315 * t5329 - 0.2e1 * t1315 * … in func_pol()
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H A D | mgga_c_b88.c | 2782 double t5320, t5323, t5324, t5325, t5326, t5327, t5328, t5329; in func_pol() local 6683 t5329 = t1621 * t5328; in func_pol() 6684 t5330 = 0.58800000000000000000e-2 * t5329; in func_pol() 9296 …t17696 = -0.11760000000000000000e-1 * t5325 - 0.11760000000000000000e-1 * t5329 - 0.11760000000000… in func_pol()
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H A D | mgga_c_vsxc.c | 3346 double t5325, t5327, t5329, t5330, t5332, t5333, t5335, t5336; in func_pol() local 7023 t5329 = t543 * t2228; in func_pol() 7035 …3 + 0.10000000000000000000e1 * t5325 + 0.10000000000000000000e1 * t5327 + t5329 + 0.2e1 * t5330 + … in func_pol() 11527 ….25000000000000000000e0 * t4360 + 0.25000000000000000000e0 * t4363 + 0.2e1 * t5329 + 0.4e1 * t5330; in func_pol() 11546 …000000000000000000e1 * t5325 + 0.30000000000000000000e1 * t5327 + 0.3e1 * t5329 + 0.6e1 * t5330 - … in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_x_erf.c | 589 double t5301, t5304, t5320, t5322, t5329, t5333, t5336, t5337; in func_pol() local 2405 …t5329 = -t4047 + 0.10e2 / 0.81e2 * t4049 - 0.2e1 / 0.27e2 * t4055 + t4064 / 0.27e2 - 0.50e2 / 0.27… in func_pol() 2409 … 0.27e2 * t5278 - t4040 / 0.27e2 + 0.4e1 / 0.27e2 * t4043 + 0.2e1 * t90 * t5329 - t5333 / 0.9e1 + … in func_pol()
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H A D | lda_xc_ksdt.c | 2488 double t5324, t5326, t5328, t5329, t5330, t5332, t5333, t5335; in func_pol() local 6614 t5329 = t1774 * t798; in func_pol() 6615 t5330 = t354 * t5329; in func_pol() 6660 t5414 = t322 * t5329; in func_pol() 6768 t5636 = t333 * t5329; in func_pol() 6799 t5711 = t366 * t5329; in func_pol() 7186 t6562 = t294 * t5329; in func_pol() 7260 t6735 = t281 * t5329; in func_pol()
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