| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_pbe.c | 488 double t868, t870, t872, t873, t874, t876, t878, t879; in func_pol() local
1147 t868 = t329 * t329; in func_pol()
1148 t870 = 0.1e1 / t48 / t868; in func_pol()
1163 t890 = t868 * t125; in func_pol()
1249 t1041 = t868 * t47; in func_pol()
1304 t1090 = t868 * rho[1]; in func_pol()
1341 t1107 = 0.1e1 / t868; in func_pol()
1535 …t124 * t46 * t876 * t114 + 0.2e1 / 0.243e3 * t120 * t2186 * t2187 / t49 / t868 / t396 * t141 - 0.1… in func_pol()
1543 t2300 = t868 * t329; in func_pol()
1633 …e3 - t379 * t326 * t399 * t317 * sigma[2] / 0.72e2 - t395 * t2186 / t49 / t868 / t419 * t888 * t14… in func_pol()
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| H A D | gga_x_bpccac.c | 1373 double t868, t871, t875, t876, t877, t878, t886, t887; in func_pol() local
2000 t868 = t245 * t382; in func_pol()
2079 …* t653 - 0.25189812447068656054e-3 * t658 * t998 + t670 * t1002 / 0.2e1 + t868 * t359 - t263 * t10… in func_pol()
2525 … / 0.9e1 * t2015 * t672 - 0.16e2 / 0.9e1 * t868 * t682 - 0.14e2 / 0.9e1 * t350 * t640 + 0.28e2 / 0… in func_pol()
2637 …t250 / 0.3e1 + 0.13434566638436616562e-2 * t658 * t2301 - 0.4e1 / 0.3e1 * t868 * t862 + t263 * t23… in func_pol()
2735 …t2588 = t263 * t2551 / 0.8e1 - 0.3e1 / 0.4e1 * t868 * t1010 + 0.3e1 / 0.8e1 * t263 * t2558 + 0.3e1… in func_pol()
2751 …t653 + 0.37784718670602984081e-3 * t350 * t2643 * t1550 - 0.3e1 / 0.4e1 * t868 * t1007 + 0.3e1 / 0… in func_pol()
3088 …t868 * t1556 + 0.28e2 / 0.3e1 * t2004 * t679 + 0.16146821607359393970e-4 * t1545 / t90 / t2080 * t… in func_pol()
3205 …t5483 = 0.28e2 / 0.9e1 * t868 * t2027 + 0.16e2 / 0.9e1 * t868 * t2008 + 0.32e2 / 0.3e1 * t4656 * t… in func_pol()
3285 …t5749 = t868 * t2307 - t263 * t5720 * t95 / 0.2e1 + t2652 * t250 / 0.2e1 + t670 * t5726 * t632 - t… in func_pol()
[all …]
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| H A D | gga_x_lspbe.c | 574 double t861, t863, t864, t865, t868, t869, t871, t872; in func_pol() local
1152 t868 = -0.3e1 * t203 - 0.3e1 * t558; in func_pol()
1153 t869 = t45 * t868; in func_pol()
1165 t885 = -t868; in func_pol()
1491 …7 * t134 * t787 / 0.2e1 + t306 * t710 * t8 * t351 / 0.2e1 - t283 * t284 * t868 * t83 / 0.6e1 + t73… in func_pol()
1502 …2e1 - t1946 / 0.6e1 + t7 * t500 * t112 * t846 / 0.9e1 - t7 * t78 * t112 * t868 / 0.2e1 + t7 * t78 … in func_pol()
1518 …t2137 = 0.2e1 / 0.3e1 * t716 * t284 * t331 * t337 - 0.2e1 / 0.3e1 * t283 * t284 * t129 * t868 + 0.… in func_pol()
1594 …61 * t715 * t169 * t846 / 0.9e1 - t1002 * t1003 * t851 / 0.2e1 - t161 * t394 * t169 * t868 / 0.2e1; in func_pol()
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| H A D | gga_c_acggap.c | 706 t868 = t333 * t852; in func_unpol()
3167 t2327 = t868 * t691; in func_ferr()
3290 t2636 = t873 * t868; in func_ferr()
3732 t7291 = t868 * t868; in func_ferr()
6514 t868 = t306 * t306; in func_pol()
6515 t869 = t301 * t868; in func_pol()
6571 t956 = t165 * t868; in func_pol()
6718 t1205 = t436 * t868; in func_pol()
7631 t2836 = t868 * t306; in func_pol()
8067 t3661 = t868 * t344; in func_pol()
[all …]
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| H A D | gga_k_lc94.c | 502 double t808, t824, t862, t865, t868, t871, t901, t902; in func_ferr() local
831 t868 = 0.2e1 / 0.3e1 * t33 * t174 * t269; in func_ferr()
833 …t868) * t47 - 0.2e1 * t871 * t104 - t501 * t211 - 0.2e1 * t785 * t136 - 0.4e1 * t434 * t255 - 0.2e… in func_ferr()
944 double t868, t869, t871, t872, t874, t877, t878, t880; in func_pol() local
1545 t868 = 0.1e1 / t142; in func_pol()
1546 t869 = t867 * t868; in func_pol()
1548 t872 = t376 * t868; in func_pol()
1550 t877 = 0.8e1 / 0.3e1 * t45 * params->expo * t868; in func_pol()
2181 t2855 = 0.32e2 / 0.27e2 * t45 * t1871 * t868 * t268; in func_pol()
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| H A D | gga_k_mpbe.c | 721 double t868, t870, t871, t872, t874, t875, t876, t883; in func_pol() local
1255 t868 = -t858; in func_pol()
1256 t870 = t179 * t180 * t868; in func_pol()
1595 t1570 = t179 * t409 * t868; in func_pol()
1642 …405 * t413 + 0.8e1 / 0.3e1 * t1763 + 0.4e1 / 0.3e1 * t404 * t180 * t181 * t868 - 0.2e1 / 0.3e1 * t… in func_pol()
1663 …1803 - t746 * t453 * t747 / 0.9e1 + 0.2e1 / 0.3e1 * t1809 + t179 * t453 * t868 / 0.2e1 + t115 * t1… in func_pol()
1674 … 0.3e1 - t1875 + t315 * t116 * t192 * t858 / 0.3e1 + t404 * t180 * t196 * t868 / 0.3e1 - t404 * t4… in func_pol()
1799 …1 * t2681 - t2685 - t546 * t2686 * t747 / 0.9e1 + t546 * t1255 * t754 + t546 * t594 * t868 / 0.2e1; in func_pol()
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| H A D | gga_x_dk87.c | 738 double t843, t844, t846, t851, t854, t857, t859, t868; in func_pol() local
1331 t868 = t7 * t657 * t154; in func_pol()
1350 …8e2 + 0.2e1 / 0.9e1 * t679 - t686 / 0.3e1 - t689 / 0.6e1 - t713 / 0.6e1 + t868 / 0.9e1 + 0.7e1 / 0… in func_pol()
1390 …t993 = 0.2e1 / 0.9e1 * t868 - t874 / 0.3e1 + 0.2e1 / 0.9e1 * t880 - t888 - t891 + t898 / 0.3e1 - t… in func_pol()
1395 t1004 = t868 / 0.3e1; in func_pol()
1805 …79 - 0.2e1 / 0.3e1 * t686 - t689 / 0.3e1 - t713 / 0.3e1 + 0.2e1 / 0.3e1 * t868 + 0.5e1 / 0.3e1 * t… in func_pol()
1826 …8 - t1531 + t726 + 0.3e1 / 0.4e1 * t857 - 0.3e1 / 0.4e1 * t943 - t1118 + t660 + t680 + t868 - t874; in func_pol()
1832 …t2434 = 0.4e1 / 0.3e1 * t868 + 0.4e1 / 0.3e1 * t880 - 0.2e1 / 0.3e1 * t953 - 0.2e1 * t956 - 0.2e1 … in func_pol()
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| H A D | gga_x_pbetrans.c | 1272 double t849, t850, t851, t860, t861, t867, t868, t869; in func_pol() local
1859 t868 = t296 * t35; in func_pol()
1860 t869 = t868 * t331; in func_pol()
2143 t1524 = t868 * t572; in func_pol()
2148 …t1535 = -0.22944444444444444444e0 * t310 * t868 * t51 + 0.11013333333333333333e1 * t1403 * t1457 -… in func_pol()
2149 …7407407407407e0 * t115 * t1418 * t119 + 0.22944444444444444444e0 * t310 * t868 * t53 + 0.917777777… in func_pol()
2517 …t868 * t876 + 0.68527407407407407408e1 * t849 * t2517 * t331 - 0.14684444444444444445e1 * t849 * t… in func_pol()
2707 …61728395061728e1 * t310 * t2507 * t53 + 0.68833333333333333333e0 * t310 * t868 * t141 - 0.13766666… in func_pol()
2727 … - 0.73422222222222222223e0 * t849 * t850 * t1517 + 0.36711111111111111112e0 * t867 * t868 * t1517; in func_pol()
2735 …4444444444445e1 * t849 * t850 * t1531 - 0.73422222222222222223e0 * t867 * t868 * t1531 + 0.1284888… in func_pol()
[all …]
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| H A D | gga_c_w94.c | 507 double t825, t840, t855, t858, t868; in func_pol() local
1152 …t868 = 0.12475520141601562500e1 * t813 - 0.31517103515625000000e1 * t818 + 0.14407818750000000000e… in func_pol()
1154 v3sigma3[6] = -0.6e1 * t60 * t224 * t269 + 0.6e1 * t60 * t367 * t858 + t60 * t62 * t868; in func_pol()
1841 t2965 = t103 * t868; in func_pol()
1842 t2966 = t868 * t10; in func_pol()
1843 t2970 = t134 * t868; in func_pol()
1929 …2 * t60 * t765 * t269 - 0.6e1 * t60 * t134 * t3144 - 0.8e1 * t60 * t224 * t868 + t60 * t62 * (0.23… in func_pol()
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| H A D | gga_x_ol2.c | 532 double t860, t862, t863, t864, t866, t867, t868, t869; in func_pol() local
1137 t868 = t325 * t123; in func_pol()
1138 t869 = t63 * t868; in func_pol()
1459 …2e1 - t266 * t267 * t118 * t759 / 0.2e1 - 0.5e1 / 0.27e2 * t1430 * t290 * t868 * t106 - t614 * t63… in func_pol()
1474 … * t118 - 0.2e1 * t289 * t720 * t873 + 0.4e1 / 0.9e1 * t7 * t491 * t144 * t868 - t7 * t186 * t37 *… in func_pol()
1550 …* t177 * t853 / 0.2e1 - t940 * t958 * t873 / 0.2e1 + t152 * t613 * t177 * t868 / 0.9e1 - 0.2e1 / 0… in func_pol()
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| H A D | gga_k_meyer.c | 72 double t854, t866, t868, t871, t875; in func_unpol() local
479 t868 = t866 * sigma[0] * t13; in func_unpol()
481 t875 = t58 * (0.5e1 / 0.72e2 * t868 * t49 + 0.5e1 / 0.24e2 * t871 * t49); in func_unpol()
598 …(t1609 + t1687 + t1723 + t1752) * sigma[0] * t13 * t49 - 0.5e1 / 0.27e2 * t868 * t101 + 0.5e1 / 0.… in func_unpol()
684 double t855, t856, t860, t868, t869, t877, t884, t899; in func_ferr() local
1059 t868 = 0.1e1 / t7 / t355; in func_ferr()
1060 t869 = t20 * t868; in func_ferr()
1082 …9 * t935 * t939 * t2 * t965 / 0.39366e5 + 0.455e3 / 0.729e3 * t62 * t63 * t868 * t64 - t376 * t935… in func_ferr()
1165 …t868 * t990 / 0.497664e6 + t949 * t1840 * t868 * t951 * t19 / 0.497664e6 + 0.5e1 / 0.2304e4 * t160… in func_ferr()
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| H A D | gga_x_2d_pbe.c | 410 double t861, t866, t868, t870, t873, t874, t876, t882; in func_pol() local
1177 t868 = t353 * t144; in func_pol()
1183 …2 * t861 + 0.10122335928791464424e-1 * t866 - 0.42838652639518510885e-3 * t868 + 0.362594202144490… in func_pol()
1247 …1 * t855 + 0.75917519465935983177e-2 * t866 - 0.21419326319759255442e-3 * t868 + 0.906485505361226… in func_pol()
1301 …+ t842 + t852 + 0.50611679643957322119e-2 * t866 - 0.71397754399197518142e-4 * t868 + t901 / 0.2e1; in func_pol()
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| H A D | gga_c_op_xalpha.c | 337 double t828, t832, t833, t854, t862, t866, t868, t870; in func_pol() local
909 t868 = t385 * t79; in func_pol()
914 …t399 * t79 + 0.60000000000000000000e1 * t866 + 0.60000000000000000000e1 * t868 - 0.856625417832647… in func_pol()
983 …0e0 * t862 + 0.15000000000000000000e1 * t866 + 0.15000000000000000000e1 * t868 - 0.107078177229080… in func_pol()
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| H A D | gga_x_ft97.c | 532 double t817, t836, t847, t868, t902, t903, t908, t920; in func_ferr() local
876 …t868 = -0.2464e4 / 0.243e3 * t13 * t307 * t20 * t96 + t492 * t493 * t76 * t170 / 0.2e1 - 0.88e2 / … in func_ferr()
881 …e1 - t378 * t233 / 0.2e1 - 0.3e1 / 0.2e1 * t179 * t467 - 0.3e1 / 0.8e1 * t43 * t44 * (t868 + t908); in func_ferr()
1005 double t863, t865, t866, t868, t870, t872, t874, t875; in func_pol() local
1649 t868 = t7 * t289 * t293; in func_pol()
1696 …-t840 + t843 - 0.3e1 / 0.8e1 * t845 - t848 / 0.2e1 - t858 - t862 - t866 - t868 - t870 / 0.2e1 - t8… in func_pol()
1747 …t1040 = -t987 / 0.6e1 - t991 - t848 / 0.6e1 - t868 / 0.3e1 - t870 / 0.6e1 - t900 / 0.18e2 + 0.2e1 … in func_pol()
2220 …2e1 * t845 - 0.2e1 * t848 - 0.2e1 * t857 - t2184 - 0.2e1 * t865 - 0.4e1 * t868 - 0.2e1 * t870 - 0.… in func_pol()
2266 …t2407 = -t866 - 0.2e1 * t868 - t870 - t875 - t880 - t885 + t897 - t900 / 0.3e1 + t908 + t917 - t92… in func_pol()
2275 …82 - t987 / 0.3e1 - 0.4e1 / 0.3e1 * t990 - t848 / 0.3e1 - 0.2e1 / 0.3e1 * t868 - t870 / 0.3e1 - t9… in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 228 t850,t851,t853,t855,t857,t859,t860,t862,t864,t866,t868,t882,t902,t923,& local
681 t868 = t454 * t399
736 * t866 - .CONVERT."0.15114240E8" * t868
961 * t868
1096 * t864 + .CONVERT."0.988604006400E12" * t866 - .CONVERT."0.988604006400E12" * t868 &
1252 * t866 - .CONVERT."0.37698479308800E14" * t868 - .CONVERT."0.89456640E8" * t2156 + &
1429 t2543 = .CONVERT."-0.1465366439116800E16" * t866 + .CONVERT."0.1465366439116800E16" * t868 &
1617 * t868 - .CONVERT."0.847243837440E12" * t2156 + .CONVERT."0.2317374259200E13" &
1848 - .CONVERT."0.2420294387167641600E19" * t868 - .CONVERT."0.55436906004480E14" * t2156 &
2105 t3925 = .CONVERT."0.103595847729454080000E21" * t868 + .CONVERT."0.3329145764904960E16" * &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 228 t850,t851,t853,t855,t857,t859,t860,t862,t864,t866,t868,t882,t902,t923,& local
681 t868 = t454 * t399
736 * t866 - .CONVERT."0.15114240E8" * t868
961 * t868
1096 * t864 + .CONVERT."0.988604006400E12" * t866 - .CONVERT."0.988604006400E12" * t868 &
1252 * t866 - .CONVERT."0.37698479308800E14" * t868 - .CONVERT."0.89456640E8" * t2156 + &
1429 t2543 = .CONVERT."-0.1465366439116800E16" * t866 + .CONVERT."0.1465366439116800E16" * t868 &
1617 * t868 - .CONVERT."0.847243837440E12" * t2156 + .CONVERT."0.2317374259200E13" &
1848 - .CONVERT."0.2420294387167641600E19" * t868 - .CONVERT."0.55436906004480E14" * t2156 &
2105 t3925 = .CONVERT."0.103595847729454080000E21" * t868 + .CONVERT."0.3329145764904960E16" * &
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_teter93.c | 387 double t854, t856, t857, t860, t868, t870, t872, t881; in func_pol() local
795 t868 = t386 * t90; in func_pol()
801 …t892 = -0.20524675229611150000e0 * t868 + 0.41049350459222300000e0 * t870 - 0.63854545158790244444… in func_pol()
817 …e0 * t870 - 0.47890908869092683334e0 * t872 - 0.51311688074027875000e-1 * t868 - 0.349822559087303… in func_pol()
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| H A D | lda_c_1d_csc.c | 502 double t868, t871, t872, t873, t874, t875, t876, t877; in func_pol() local
946 t868 = t866 + t867; in func_pol()
960 …t884 = t1 * (t543 + t864 + t868) + t871 - t872 + t873 + t874 - t875 - t876 + t877 - t878 - t879 + … in func_pol()
1009 …t939 = t1 * (t543 + t935 + t868) + t871 - t872 + t873 - t874 - t875 - t876 + t877 - t878 + t879 - … in func_pol()
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| H A D | lda_c_pk09.c | 647 t868 = t119 * t121; in func_unpol()
648 t869 = t867 * t868; in func_unpol()
656 t881 = t118 * t868; in func_unpol()
1911 t868 = t867 * t88; in func_ferr()
3332 t868 = t126 * t867; in func_pol()
3333 t869 = t868 * t857; in func_pol()
4080 t2176 = t868 * t2168; in func_pol()
4439 t3144 = t868 * t3140; in func_pol()
4472 t3218 = t868 * t3217; in func_pol()
4752 t4100 = t868 * t4096; in func_pol()
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_pbe.F | 466 t8, t80, t801, t809, t81, t812, t821, t825, t83, t831, t84, t85, t86, t868, t87, t877, & local
953 t868 = t150*t115*k_s2rho/0.2e1_dp
955 t868 + t330
957 0.2e1_dp + t868 + t330
1561 t821, t822, t823, t825, t828, t839, t84, t840, t85, t851, t858, t865, t867, t868, t87, & local
2107 t868 = t865 + t867
2109 t879 = 0.2e1_dp*t297*t298*t1rhoa + t101*t111*t868*t119 &
2127 t962 = 0.2e1_dp*t101*t1rhoa*t299 + 0.2e1_dp*t297*t868* &
2131 t876 - 0.2e1_dp*t297*t313*t321*t1rhoa - t310*t868*t312* &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_pbe.F | 466 t8, t80, t801, t809, t81, t812, t821, t825, t83, t831, t84, t85, t86, t868, t87, t877, & local
953 t868 = t150*t115*k_s2rho/0.2e1_dp
955 t868 + t330
957 0.2e1_dp + t868 + t330
1561 t821, t822, t823, t825, t828, t839, t84, t840, t85, t851, t858, t865, t867, t868, t87, & local
2107 t868 = t865 + t867
2109 t879 = 0.2e1_dp*t297*t298*t1rhoa + t101*t111*t868*t119 &
2127 t962 = 0.2e1_dp*t101*t1rhoa*t299 + 0.2e1_dp*t297*t868* &
2131 t876 - 0.2e1_dp*t297*t313*t321*t1rhoa - t310*t868*t312* &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_tm.c | 609 t868 = t265 * t265; in func_unpol()
613 t877 = t19 * t868; in func_unpol()
618 t889 = t341 * t868; in func_unpol()
620 t896 = t349 * t868; in func_unpol()
622 t904 = t340 * t868; in func_unpol()
1010 t2242 = t114 * t868; in func_unpol()
1020 t2299 = t21 * t868; in func_unpol()
1041 t2391 = t983 * t868; in func_unpol()
1201 t2838 = t204 * t868; in func_unpol()
1837 t8464 = t76 * t868; in func_unpol()
[all …]
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| H A D | mgga_x_mvs.c | 995 double t859, t863, t865, t868, t869, t877, t887, t890; in func_ferr() local
1437 t868 = t110 * t409; in func_ferr()
1438 t869 = t109 * t868; in func_ferr()
1496 …v3sigma2tau[0] = -0.3e1 / 0.8e1 * t73 * t1001 + t139 * t868 * t142 / 0.3072e4 - t1007 * t378 / 0.2… in func_ferr()
1646 …2 / 0.6912e4 * t566 * t868 * t117 - 0.3e1 / 0.8e1 * t73 * t7 * (t1738 + t1795) * t66 - t109 * t180… in func_ferr()
1750 …2421 * t66 + t139 * t2118 * t142 / 0.2048e4 - 0.3e1 / 0.262144e6 * t375 * t868 * t378 + t381 * t40… in func_ferr()
1887 double t856, t857, t858, t862, t865, t868, t872, t881; in func_pol() local
2760 t868 = t428 * t332; in func_pol()
2763 …6e2 * t862 * t423 + 0.5e1 / 0.36e2 * t421 * t865 + 0.5e1 / 0.16e2 * t39 * t868 * t176 - t39 * t165… in func_pol()
2878 …t1045 = 0.5e1 / 0.36e2 * t862 * t696 - 0.5e1 / 0.288e3 * t1025 + 0.5e1 / 0.16e2 * t39 * t868 * t28… in func_pol()
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| H A D | mgga_x_br89_explicit.c | 8218 t868 = t311 * t103; in func_ferr()
16429 t870 = t868 * t869; in func_pol()
16738 t1371 = t868 * t427; in func_pol()
16960 t1745 = t868 * t554; in func_pol()
17158 t2105 = t868 * t680; in func_pol()
17351 t2450 = t868 * t2449; in func_pol()
17710 t3143 = t868 * t3142; in func_pol()
17905 t3568 = t868 * t3567; in func_pol()
18083 t3886 = t53 * t868; in func_pol()
28805 t36526 = t868 * t37; in func_pol()
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| H A D | mgga_c_m06l.c | 888 t868 = 0.1e1 / t867; in func_unpol()
889 t869 = t865 * t868; in func_unpol()
1682 t2583 = t336 * t868; in func_unpol()
2872 t7453 = t81 * t868; in func_unpol()
3887 t869 = t241 * t868; in func_ferr()
4437 t1949 = t651 * t868; in func_ferr()
4664 t2429 = t739 * t868; in func_ferr()
7737 t868 = t867 * t142; in func_pol()
7738 t869 = t868 * t200; in func_pol()
8862 t2864 = t868 * t1065; in func_pol()
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