/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_bmk.c | 1469 double t4237, t4238, t4240, t4241, t4242, t4245, t4248, t4251; in func_pol() local 3892 t4251 = t544 * t882; in func_pol() 3902 … 0.66355200000000000000e-9 * t4248 * t4242 - 0.33177600000000000000e-11 * t4251 * t4242 + 0.497664… in func_pol() 4312 … 0.66355200000000000000e-9 * t4248 * t5217 - 0.33177600000000000000e-11 * t4251 * t5217 - 0.253440… in func_pol() 4716 … 0.24883200000000000000e-9 * t4248 * t6183 + 0.12441600000000000000e-11 * t4251 * t6183 - 0.186624… in func_pol() 4751 …0.55296000000000000000e-10 * t1727 * t6250 + 0.12441600000000000000e-11 * t4251 * t6255 + 0.103680… in func_pol() 4790 … 0.24883200000000000000e-9 * t4248 * t6355 + 0.12441600000000000000e-11 * t4251 * t6355 - 0.186624… in func_pol() 4833 … 0.24883200000000000000e-9 * t4248 * t6468 + 0.12441600000000000000e-11 * t4251 * t6468 - 0.176000… in func_pol() 4952 …8 * t6806 + 0.20736000000000000000e-10 * t544 * t6802 - 0.46656000000000000000e-12 * t4251 * t6806; in func_pol() 5005 … 0.20736000000000000000e-10 * t544 * t6946 - 0.46656000000000000000e-12 * t4251 * t6936 - 0.388800… in func_pol() [all …]
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H A D | gga_c_hcth_a.c | 4054 t4251 = t2734 * t904; in func_pol() 4055 t4252 = t2742 * t4251; in func_pol() 4064 t4275 = t2733 * t4251; in func_pol() 4130 t4459 = t2891 * t4251; in func_pol() 4133 t4464 = t2883 * t4251; in func_pol() 5931 t10195 = t9302 * t4251; in func_pol() 6030 t10686 = t9279 * t4251; in func_pol() 6031 t10692 = t9288 * t4251; in func_pol() 6294 t11926 = t7900 * t4251; in func_pol() 6315 t12049 = t7869 * t4251; in func_pol() [all …]
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H A D | gga_x_sfat.c | 3146 double t4223, t4224, t4225, t4236, t4245, t4251, t4257, t4262; in func_pol() local 5164 t4251 = t397 * t1639 * M_PI; in func_pol() 5168 … * t568 / 0.36e2 + 0.2e1 / 0.3e1 * t4245 * t577 + t424 * t4097 / 0.16e2 + t4251 * t401 / 0.8e1 + t… in func_pol() 5545 …* t1554 * t5111 - 0.3e1 * t574 * t5116 + 0.9e1 / 0.32e2 * t2915 * t1857 + t4251 * t568 / 0.8e1 - t… in func_pol() 6469 … t8182 * t568 / 0.16e2 + 0.3e1 / 0.16e2 * t2884 * t1542 - 0.3e1 / 0.8e1 * t4251 * t1090 - t4236 * … in func_pol() 6502 ….3e1 / 0.16e2 * t1151 * t4097 + t424 * t11223 / 0.16e2 + 0.3e1 / 0.16e2 * t4251 * t1094 + t137 * t… in func_pol() 6771 …* t8540 * t1857 - t4236 * t1542 / 0.12e2 + 0.9e1 / 0.32e2 * t13683 * t1078 + t4251 * t1542 / 0.4e1; in func_pol() 6779 …011 + 0.9e1 / 0.16e2 * t1143 * t13178 + 0.9e1 / 0.32e2 * t1143 * t13182 - t4251 * t1538 / 0.2e1 - … in func_pol() 6942 …t4251 * t1863 + 0.3e1 / 0.8e1 * t1151 * t5628 - 0.27e2 / 0.16e2 * t2915 * t5614 + t15225 * t401 / … in func_pol()
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H A D | gga_x_sfat_pbe.c | 173 double t4204, t4207, t4218, t4227, t4236, t4244, t4248, t4251; in func_unpol() local 1387 t4251 = t4110 * t175; in func_unpol() 1388 …49e-7 * t4251 * t4116 - 0.14486965245370984002e-6 * t4251 * t4119 + 0.10240232307225331444e-5 * t4… in func_unpol() 1401 …6387237790119139e-4 * t4193 * t2989 * t4197 - 0.20178104111926183655e-7 * t4251 * t4112 + 0.263981… in func_unpol() 3375 double t4242, t4245, t4250, t4251, t4252, t4255, t4256, t4257; in func_pol() local 5596 t4251 = t4250 * t1013; in func_pol() 5597 t4252 = t4006 * t4251; in func_pol() 7097 …* t27 * t418 * t1202 * t1205 - 0.11603640672923616535e-3 * t576 * t2867 * t4251 - 0.13373570548099… in func_pol()
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H A D | gga_x_q2d.c | 1182 double t4251, t4259, t4294, t4307, t4325, t4330, t4335, t4340; in func_pol() local 3193 t4251 = t1402 * t216; in func_pol() 3194 …t216 / 0.1990656e7 - t518 * t4032 * t520 * t216 / 0.48e2 - t518 * t4036 * t4251 / 0.6912e4 + t3205… in func_pol() 3404 … / 0.36864e5 + t518 * t4023 * t5297 * t216 / 0.7077888e7 - t518 * t5302 * t4251 / 0.27648e5 + t518… in func_pol()
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H A D | gga_c_pbe.c | 1588 double t4251, t4255, t4256, t4257, t4258, t4259, t4260, t4261; in func_pol() local 4057 t4251 = 0.13012297560362087810e0 * t1602; in func_pol() 4356 …t5369 = -t4250 - t4251 + 0.14035736694323150897e2 * t1604 + t7 * (t4290 + t4373 + t5304 + t5316 + … in func_pol() 4604 …+ t4241 - t4242 - t1583 - 0.3e1 * t1997 - t6414 + t6415 - t4248 - t4250 - t4251 + 0.10526802520742… in func_pol() 4832 ….48e2 * t1580 - t1995 - 0.2e1 * t1997 + 0.192e3 * t1587 - t4248 - t4250 - t4251 + 0.70178683471615… in func_pol() 4973 …t8595 = t6414 - t6415 - t4248 - t4250 - t4251 + t1605 - 0.35089341735807877242e1 * t2452 + t2810 +… in func_pol() 5068 …t9154 = -0.12e2 * t2805 - t4245 - t4246 - t4247 - t4248 - t4250 - t4251 - 0.70178683471615754484e1… in func_pol()
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H A D | gga_x_ev93.c | 965 double t4246, t4251, t4261, t4267, t4269, t4275, t4281, t4283; in func_pol() local 2657 …t4251 = -t4222 / 0.12e2 - t170 * t4021 / 0.2e1 - t4227 / 0.12e2 - t4230 / 0.12e2 - 0.7e1 / 0.6e1 *… in func_pol() 2671 …1 / 0.6e1 + t4023 + t4211 / 0.9e1 - t374 * t1543 * t376 / 0.6e1 - t4219 + t4251 - t1576 * t1577 * … in func_pol()
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H A D | gga_xc_b97.c | 1820 double t4242, t4243, t4245, t4246, t4248, t4251, t4253, t4255; in func_pol() local 4451 t4251 = t1580 * t148 * t1584; in func_pol() 4563 …- t4256 + t3207 + t4343 + t4237 - t4241 - t4243 + t3305 + t3315 + t3205 - t4251 / 0.24e2) + 0.6e1 … in func_pol() 4999 …t5389 = -t4251 / 0.72e2 - t4276 / 0.48e2 - 0.7e1 / 0.72e2 * t4990 - t4995 + t5353 + 0.160823415889… in func_pol() 6951 …240 - 0.18654000000000000000e0 * t4242 + t4245 / 0.12e2 - t4248 / 0.8e1 - t4251 / 0.6e1 - 0.3e1 / … in func_pol() 6972 …6 + 0.93270000000000000000e-1 * t4979 + t4245 / 0.16e2 - t4248 / 0.16e2 - t4251 / 0.12e2 - t4256 -… in func_pol() 7794 …6 + 0.62180000000000000000e-1 * t4979 + t4245 / 0.24e2 - t4248 / 0.48e2 - t4251 / 0.36e2 - t4276 /… in func_pol()
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H A D | gga_c_acggap.c | 8382 t4251 = t294 * t1494; in func_pol() 8383 t4252 = t4251 * t1096; in func_pol() 11819 t11712 = t4251 * t2899; in func_pol() 12493 t13815 = t4251 * t1141; in func_pol() 12951 t15198 = t4251 * t4182; in func_pol() 13806 t18820 = t4251 * t4110; in func_pol() 13816 t18871 = t4251 * t4113; in func_pol() 13821 t18883 = t4251 * t5221; in func_pol() 14090 t19732 = t4251 * t6454; in func_pol() 14094 t19742 = t4251 * t6468; in func_pol() [all …]
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H A D | gga_c_optc.c | 6296 t4251 = t2414 * t3810; in func_pol() 6297 t4252 = t861 * t4251; in func_pol() 6304 t4263 = t339 * t4251; in func_pol() 6394 t4543 = t1005 * t4251; in func_pol() 9868 t13049 = t4251 * t2525; in func_pol() 10476 t14884 = t3708 * t4251; in func_pol() 10517 t15054 = t3478 * t4251; in func_pol() 16244 t38972 = t4251 * t7550; in func_pol() 16310 t39284 = t4251 * t7537; in func_pol() 16362 t39569 = t4251 * t7528; in func_pol() [all …]
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H A D | gga_x_ityh.c | 1385 double t4161, t4165, t4169, t4177, t4202, t4240, t4251, t4280; in func_ferr() local 2279 t4251 = t80 * t1541 * M_PI; in func_ferr() 2280 …3 + 0.2e1 * t2464 * t593 - 0.4e1 / 0.3e1 * t3381 * t193 + 0.4e1 / 0.9e1 * t4251 * t112 + 0.8e1 / 0… in func_ferr() 2288 …1 * t631 - 0.6e1 * t1017 * t1760 + 0.3e1 * t2742 * t593 + 0.2e1 / 0.3e1 * t4251 * t193 + 0.2e1 / 0… in func_ferr()
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H A D | gga_x_ncap.c | 2307 double t4248, t4251, t4262, t4272, t4292, t4301, t4315, t4338; in func_pol() local 4108 …t4251 = t1511 / 0.3e1 - t4246 - t1520 + t1526 / 0.3e1 - t4248 - t1534 - t1538 / 0.2e1 - t1542 / 0.… in func_pol() 4110 v4rho4[1] = t4235 + t4239 + t4244 + t4251; in func_pol()
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H A D | gga_c_gapc.c | 263 double t4248, t4250, t4251, t4254, t4257, t4260, t4261, t4264; in func_unpol() local 2380 t4251 = t538 * t2768; in func_unpol() 2391 …t4284 = -0.43449121406768801912e-4 * t4250 * t4251 + 0.12672660410307567224e-4 * t1556 * t4254 + 0… in func_unpol() 3638 …860723633e-3 * t340 * t4173 * t1886 + 0.82553330672860723633e-3 * t2767 * t4251 - 0.29524791194193… in func_unpol() 3667 … t536 * t300 * t100 * t7369 - 0.13034736422030640574e-3 * t1535 * t2595 * t4251 - 0.31283367412873… in func_unpol() 8561 double t4233, t4236, t4237, t4250, t4251, t4258, t4259, t4262; in func_pol() local 12398 t4251 = t1161 * t4250; in func_pol() 12401 …999998e-2 * t394 * t395 * t1497 - 0.11826773399999999999e-1 * t80 * t82 * t4251 + 0.78845155999999… in func_pol() 16770 …t1493 - 0.31538062399999999998e-1 * t80 * t387 * t4251 + 0.23653546799999999998e-1 * t394 * t395 *… in func_pol() 16999 …44 - 0.65816917210200000000e-3 * t1374 * t1386 * t4251 - 0.14859000000000000001e0 * t327 * t130 * … in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_scan.c | 154 double t4164, t4182, t4223, t4248, t4251, t4253, t4258, t4262; in func_unpol() local 1316 t4251 = t136 * t64; in func_unpol() 3242 double t4243, t4244, t4245, t4247, t4248, t4249, t4250, t4251; in func_pol() local 5908 t4251 = 0.1e1 / t130; in func_pol() 5909 t4253 = t521 * t4251 * t191; in func_pol() 6778 t5652 = t56 * t4251; in func_pol() 6779 t5657 = t4251 * t236; in func_pol() 6782 t5672 = params->c1 * t4251; in func_pol() 6783 t5679 = -0.500e3 / 0.81e2 * t5672 * t988 - 0.2500e4 / 0.729e3 * t1272 * t1011 * t4251 * t24; in func_pol() 7869 t11809 = t4251 * t191; in func_pol() [all …]
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H A D | hyb_mgga_x_dldf.c | 1221 double t4251, t4254, t4255, t4257, t4260, t4262, t4282, t4289; in func_pol() local 3291 t4251 = t4250 * t1584; in func_pol() 3298 …v4rho3sigma[2] = -0.89658710022258061846e-1 * t4251 - 0.89658710022258061846e-1 * t4255 - 0.268976… in func_pol() 3330 …3118337043010308e-1 * t4417 * t1625 * t1049 - 0.29886236674086020615e-1 * t4251 - 0.59772473348172… in func_pol()
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H A D | mgga_x_mggac.c | 3259 t4251 = t325 * t4250; in func_unpol() 30899 t4251 = t3610 * t4250; in func_pol() 30900 t4252 = t3618 * t4251; in func_pol() 30926 t4282 = t4281 * t4251; in func_pol() 30968 t4329 = t3604 * t4251; in func_pol() 40785 t17528 = t17362 * t4251; in func_pol() 40905 t17779 = t17380 * t4251; in func_pol() 40912 t17792 = t17791 * t4251; in func_pol() 42786 t21194 = t21193 * t4251; in func_pol() 42878 t21345 = t21169 * t4251; in func_pol() [all …]
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H A D | mgga_x_m11_l.c | 4145 double t4230, t4234, t4238, t4243, t4247, t4251, t4255, t4256; in func_pol() local 6204 t4251 = t1004 * t1392; in func_pol() 6205 …1009 * t1384 - t4182 - 0.4e1 / 0.81e2 * t210 * t510 * t4247 + 0.4e1 / 0.27e2 * t210 * t211 * t4251; in func_pol() 8037 t11639 = t210 * t731 * t4251; in func_pol() 8038 t11641 = t4251 * t492; in func_pol() 8077 t11744 = t4251 * t965; in func_pol() 10829 t29180 = t210 * t2353 * t4251; in func_pol() 10832 …* t11649 * t492 - 0.4e1 / 0.81e2 * t210 * t510 * t4251 * t1907 + 0.16e2 / 0.243e3 * t210 * t1897 *… in func_pol() 10867 …/ 0.81e2 * t210 * t510 * t11649 * t965 - 0.16e2 / 0.81e2 * t210 * t2903 * t4251 * t9 - 0.4e1 / 0.8… in func_pol() 10900 …t4251 * t3298 - 0.4e1 / 0.81e2 * t210 * t510 * t1393 * t9878 - 0.4e1 / 0.27e2 * t210 * t510 * t117… in func_pol()
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H A D | mgga_c_vsxc.c | 202 double t4201, t4209, t4216, t4219, t4241, t4251, t4254, t4257; in func_unpol() local 1725 …t4251 = -0.1024e4 * t1264 * t1980 + 0.4864e4 / 0.9e1 * t634 * t4216 - 0.9728e4 / 0.9e1 * t931 * t4… in func_unpol() 1736 … * t945 + 0.13309410491666666666e-3 * t440 * t163 * t4209 * t95 + t120 * (t4251 + t4296) + 0.44364… in func_unpol() 3280 double t4245, t4247, t4248, t4251, t4255, t4258, t4261, t4262; in func_pol() local 6490 t4251 = t1400 * t432; in func_pol() 6492 …245938496077605201e2 * t1375 * t4248 + 0.30000000000000000000e1 * t1354 * t4251 - 0.48245938496077… in func_pol() 10686 …t4251 + 0.30000000000000000000e1 * t117 * t1333 * t11449 * t433 + 0.72e2 * t12331 - 0.192e3 * t123… in func_pol() 11068 …260 + t14511 + 0.30000000000000000000e1 * t4274 * t5175 + 0.30000000000000000000e1 * t5290 * t4251; in func_pol() 11098 …000000000000000000e1 * t1880 * t1335 + 0.30000000000000000000e1 * t4409 * t4251 - 0.90000000000000… in func_pol()
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H A D | mgga_x_task.c | 3227 double t4250, t4251, t4252, t4256, t4257, t4258, t4261, t4264; in func_pol() local 5406 t4251 = t1726 * t310; in func_pol() 5407 t4252 = t1343 * t4251; in func_pol() 7023 …66666666e1 * t10941 + t3410 * t1343 * t1726 * t9 / 0.2e1 - t515 * t3432 * t4251 / 0.2e1 - t515 * t… in func_pol() 7463 …v4rhosigma2tau[11] = -t13347 - t515 * t13348 * t1344 / 0.2e1 - t13352 - t515 * t4245 * t4251 - t13… in func_pol() 7696 …v4rhosigmatau2[8] = -t14219 - t515 * t14220 * t1344 / 0.2e1 - t14225 - t515 * t4623 * t4251 / 0.2e… in func_pol()
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H A D | hyb_mgga_xc_wb97mv.c | 4169 double t4245, t4246, t4247, t4248, t4249, t4250, t4251, t4252; in func_pol() local 8207 t4251 = t1037 * t1211; in func_pol() 8208 t4252 = t614 * t4251; in func_pol() 12258 t14233 = t1858 * t4251; in func_pol() 12261 t14238 = t2160 * t4251; in func_pol() 12499 t14853 = t2761 * t4251; in func_pol() 12501 t14855 = t2788 * t4251; in func_pol() 19251 …t48934 = 0.50000000000000000001e0 * t6806 * t4251 + 0.10000000000000000000e1 * t7528 * t4251 + 0.1… in func_pol() 19525 …00000000000000000e1 * t2761 * t14230 + 0.10000000000000000000e1 * t7682 * t4251 + 0.10000000000000… in func_pol() 19527 …00000000000e-1 * t1403 * t10573 * t1211 + t829 * t14839 + 0.10000000000000000000e1 * t7828 * t4251; in func_pol() [all …]
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H A D | mgga_x_pbe_gx.c | 2640 double t4250, t4251, t4257, t4260, t4261, t4264, t4267, t4272; in func_pol() local 5462 t4251 = t4250 * t35; in func_pol() 5473 t4287 = t4251 * t40; in func_pol() 5479 …t4321 = (-0.82222222222222222222e-1 * t4251 * t174 + 0.36543209876543209876e0 * t1528 * t152 * t82… in func_pol()
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H A D | mgga_x_regtpss.c | 4527 double t4247, t4248, t4249, t4251, t4255, t4258, t4262, t4263; in func_ferr() local 6494 t4251 = t4187 * t4040; in func_ferr() 6496 …* t4245 - 0.43396014582770994465e-2 * t4249 + 0.10771087790725118994e-2 * t4251 + 0.10492018711419… in func_ferr() 7934 … * t4245 - 0.20830086999730077343e0 * t4249 + 0.51701221395480571170e-1 * t4251 - 0.500e3 / 0.81e2… in func_ferr() 8589 double t4251, t4252, t4254, t4255, t4256, t4259, t4261, t4263; in func_pol() local 11348 t4251 = t995 * t400; in func_pol() 11349 t4252 = t4251 * t1520; in func_pol() 11893 …88 * t5636 - 0.84597793854656461449e0 * t5640 * t322 + 0.100e3 / 0.27e2 * t4251 * t1961 + 0.50e2 /… in func_pol() 14626 … * t1591 + 0.10072337962962962963e1 * t1039 * t14167 + 0.100e3 / 0.27e2 * t4251 * t4206 - 0.15e2 /… in func_pol() 14633 …5 * t13046 + 0.24621270576131687242e1 * t1045 * t4210 - 0.25e2 / 0.36e2 * t4251 * t4232 - 0.25e2 /… in func_pol() [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
H A D | mpfr_yukawa.f90 | 818 t4251,t4253,t4257,t4260,t4263,t4266,t4269,t4272,t4275,t4278,t4282,t4284,& local 2973 t4251 = t142 * t3444 * t12 2983 … / .CONVERT."0.1024D4" * t4251 + t4253 * t856 * t17 + .CONVERT."0.3003D4" / .CONVERT."0.4D1" * & 3481 …* t2080 - .CONVERT."0.1260353469375D13" / .CONVERT."0.512D3" * t4251 - .CONVERT."0.3549D4" / .CONV… 4171 t4249 + .CONVERT."0.15880453714125D14" / .CONVERT."0.1024D4" * t4251 4737 …/ .CONVERT."0.128D3" * t4251 - .CONVERT."0.15015D5" * t4260 - .CONVERT."0.1126125D7" / .CONVERT."0… 5705 ….CONVERT."0.512D3" * t4251 + .CONVERT."0.1276275D7" / .CONVERT."0.8D1" * t4263 + .CONVERT."0.58228… 6865 t2081 - .CONVERT."0.41289179656725D14" / .CONVERT."0.256D3" * t4251 7774 / .CONVERT."0.512D3" * t4251 + .CONVERT."0.79402268570625D14" / .CONVERT."0.512D3" * t4266 & 9652 / .CONVERT."0.128D3" * t4251 - .CONVERT."0.12855605387625D14" / .CONVERT."0.128D3" * t4266 & [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
H A D | mpfr_yukawa.f90 | 818 t4251,t4253,t4257,t4260,t4263,t4266,t4269,t4272,t4275,t4278,t4282,t4284,& local 2973 t4251 = t142 * t3444 * t12 2983 … / .CONVERT."0.1024D4" * t4251 + t4253 * t856 * t17 + .CONVERT."0.3003D4" / .CONVERT."0.4D1" * & 3481 …* t2080 - .CONVERT."0.1260353469375D13" / .CONVERT."0.512D3" * t4251 - .CONVERT."0.3549D4" / .CONV… 4171 t4249 + .CONVERT."0.15880453714125D14" / .CONVERT."0.1024D4" * t4251 4737 …/ .CONVERT."0.128D3" * t4251 - .CONVERT."0.15015D5" * t4260 - .CONVERT."0.1126125D7" / .CONVERT."0… 5705 ….CONVERT."0.512D3" * t4251 + .CONVERT."0.1276275D7" / .CONVERT."0.8D1" * t4263 + .CONVERT."0.58228… 6865 t2081 - .CONVERT."0.41289179656725D14" / .CONVERT."0.256D3" * t4251 7774 / .CONVERT."0.512D3" * t4251 + .CONVERT."0.79402268570625D14" / .CONVERT."0.512D3" * t4266 & 9652 / .CONVERT."0.128D3" * t4251 - .CONVERT."0.12855605387625D14" / .CONVERT."0.128D3" * t4266 & [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_ml1.c | 437 double t4236, t4239, t4240, t4241, t4244, t4245, t4248, t4251; in func_pol() local 2266 t4251 = t295 * t270; in func_pol() 2267 t4252 = t116 * t4251; in func_pol() 2321 …7526053893423689952e0 * t4378 + 0.11819659060280144255e1 * t1593 * t165 * t4251 + 0.87553030076149… in func_pol()
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