| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_xc_th3.c | 575 double t2935, t2937, t2939; in func_pol() local
1713 t2939 = t2937 * t55 * t60; in func_pol()
1715 …] = 0.3e1 / 0.16e2 * t41 * t2939 + 0.3e1 / 0.16e2 * t66 * t2939 + 0.3e1 / 0.16e2 * t70 * t2939 + 0… in func_pol()
2492 …t2939 + t6790 * t1023 / 0.4e1 + 0.9e1 / 0.32e2 * t243 * t2939 + t6795 * t1023 / 0.4e1 + 0.5e1 / 0.… in func_pol()
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| H A D | gga_c_op_g96.c | 744 double t2928, t2932, t2933, t2934, t2935, t2938, t2939, t2940; in func_pol() local
2397 t2939 = t801 * t63; in func_pol()
2398 t2940 = t2939 * t98; in func_pol()
2588 t3404 = t2939 * t138; in func_pol()
2761 t3736 = t611 * t2939; in func_pol()
2858 t3930 = t2939 * t39; in func_pol()
2872 t3959 = t2939 * t9; in func_pol()
2876 t3966 = t2939 * t10; in func_pol()
4032 …2e-5 * t9475 * t10544 * t276 + 0.18229345701540957015e-3 * t436 * t2938 * t2939 * t269 - 0.3645869… in func_pol()
4039 …81914030e-3 * t1623 * t2948 - 0.54688037104622871045e-3 * t1639 * t2938 * t2939 * t232 + 0.3645869… in func_pol()
[all …]
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| H A D | gga_c_w94.c | 577 double t2930, t2936, t2938, t2939, t2943, t2946, t2949, t2950; in func_pol() local
1832 t2939 = t858 * t10; in func_pol()
1847 …v4rhosigma3[6] = t2938 - 0.5e1 * t1053 * t2939 * t56 - t2946 + t2949 - t2952 + 0.5e1 * t350 * t295… in func_pol()
1877 …v4rhosigma3[16] = t2938 - 0.5e1 * t1053 * t2939 * t84 - t2946 + t2949 - t2952 + 0.5e1 * t350 * t29… in func_pol()
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| H A D | gga_c_pbe.c | 1519 double t2928, t2932, t2939, t2941, t2945, t2949, t2952, t2954; in func_pol() local
3423 t2939 = t575 * t1017; in func_pol()
3424 t2941 = t826 * t827 * t2939; in func_pol()
3449 …21 * t309 + t114 * t134 * t2980 - 0.6e1 * t1692 * t1835 * t2996 + 0.6e1 * t2939 * t365 * t741 + 0.… in func_pol()
4801 …7 - 0.119e3 / 0.3456e4 * t7336 + 0.7e1 / 0.144e3 * t7338 - t824 * t2209 * t2939 * t2216 / 0.192e3 … in func_pol()
4919 …280 - t824 * t588 * t2470 * t575 * t787 / 0.128e3 + t824 * t826 * t2001 * t2939 / 0.512e3 - 0.15e2… in func_pol()
4965 …309 * t2996 * t280 + 0.6e1 * t741 * t910 * t2939 + 0.12e2 * t741 * t1050 * t2475 + 0.6e1 * t741 * … in func_pol()
5046 …t8905 = -0.7e1 / 0.192e3 * t8098 - t824 * t2209 * t2939 * t338 * t352 / 0.32e2 - 0.7e1 / 0.96e2 * … in func_pol()
5048 …t8941 - 0.7e1 / 0.192e3 * t8231 + 0.3e1 / 0.256e3 * t824 * t826 * t2470 * t2939 - 0.7e1 / 0.96e2 *… in func_pol()
5055 … t741 - 0.36e2 * t1046 * t1835 * t8941 + 0.36e2 * t1046 * t2939 * t741 + 0.24e2 * t1050 * t2939 * … in func_pol()
[all …]
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| H A D | gga_x_s12.c | 783 double t2789, t2799, t2808, t2818, t2892, t2909, t2914, t2939; in func_pol() local
1895 t2939 = t524 * t395 * sigma[2]; in func_pol()
1899 ….9e1 * t485 * t2367 - 0.1232e4 / 0.27e2 * t485 * t2371 - 0.144e3 * t401 * t2939 - 0.8e1 * t2942 * … in func_pol()
1977 …07 * t56 * t385 + 0.64e2 / 0.3e1 * t1299 * t207 * t1156 - 0.96e2 * t485 * t2939 + 0.256e3 / 0.9e1 … in func_pol()
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| H A D | gga_k_mpbe.c | 778 double t2939, t2945, t2987, t2992, t2993, t2995, t3004, t3016; in func_pol() local
1856 t2939 = t372 * t169; in func_pol()
1858 …t2939 * t789 * t42 * t171 + t356 * t2945 * t1655 / 0.7776e4 + 0.19e2 / 0.162e3 * t38 * t40 * t351 … in func_pol()
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| H A D | gga_c_hcth_a.c | 1485 double t2939, t2941, t2942, t2943, t2944, t2947, t2948, t2949; in func_pol() local
3482 t2939 = t2938 * t910; in func_pol()
4507 … - 0.38597957430933730667e-1 * t1801 * t5280 - 0.51833203418720633308e1 * t2939 * t5286 + 0.172453… in func_pol()
4778 … + 0.35122923367853309975e-4 * t4447 * t5937 - 0.51833203418720633308e1 * t2939 * t5943 - 0.347381… in func_pol()
5729 …316713181488250320e1 * t2900 * t9232 * t4424 - 0.31099922051232379984e2 * t2939 * t9232 * t4493 + … in func_pol()
5768 …t9380 = 0.25916601709360316654e1 * t2939 * t1150 * t9321 * t1085 - 0.51736030097336779074e-2 * t93… in func_pol()
6799 …95914861867461334e-1 * t1801 * t5279 * t9264 + 0.25916601709360316654e1 * t2939 * t5283 * t14936 *… in func_pol()
6825 …t2939 * t5283 * t5284 * t1094 + 0.17245343365778926358e-2 * t1791 * t5279 * t9239 + 0.229937911543… in func_pol()
6970 … t5274 * t1771 - 0.15549961025616189992e2 * t2939 * t5283 * t5284 * t1771 + 0.25916601709360316654… in func_pol()
7290 …75e-4 * t10836 * t2515 * t395 * t5940 * t382 - 0.31099922051232379984e2 * t2939 * t5283 * t5284 * … in func_pol()
[all …]
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| H A D | gga_c_tca.c | 892 double t2931, t2932, t2933, t2934, t2935, t2936, t2937, t2939; in func_pol() local
2333 t2939 = 0.20848559849563575189e-1 * t2887; in func_pol()
2336 …933 - t2934 - t2935 + t2936 - t2937 + 0.54189733089586173990e-2 * t2883 + t2939 + t2940 - t2896 + … in func_pol()
2428 …t3116 = -t2932 + t2933 - t2934 - t2935 + t2936 - t2937 + t2939 + t2940 - t2896 + 0.541897330895861… in func_pol()
2474 …+ t2927 - t2929 + t2931 - t2932 + t2933 - t2934 - t2935 + t2936 - t2937 + t2939 + t2940 - t2896 - … in func_pol()
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| H A D | hyb_gga_xc_wb97.c | 4473 t2939 = t311 * t759; in func_pol()
4474 t2940 = t2938 * t2939; in func_pol()
4476 t2943 = t1102 * t2939; in func_pol()
5316 t4962 = t4961 * t2939; in func_pol()
6501 t7712 = t6567 * t2939; in func_pol()
6753 t8360 = t3009 * t2939; in func_pol()
7123 t9392 = t8459 * t2939; in func_pol()
7310 t9937 = t3672 * t2939; in func_pol()
7312 t9940 = t3539 * t2939; in func_pol()
7354 t10016 = t3550 * t2939; in func_pol()
[all …]
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| H A D | gga_x_pbetrans.c | 1352 double t2914, t2917, t2920, t2923, t2930, t2933, t2939, t2956; in func_pol() local
2596 t2939 = t7 * t2327 * t433; in func_pol()
2599 …38 / 0.2e1 + t2930 / 0.9e1 + t2933 / 0.27e2 + t7 * t2681 * t166 / 0.3e1 + t2939 / 0.27e2 - t7 * t2… in func_pol()
2631 …/ 0.2e1 - t2920 / 0.2e1 - t2923 / 0.6e1 + t2930 / 0.3e1 + t2933 / 0.9e1 + t2939 / 0.9e1 + t2691 - … in func_pol()
2698 …* t2905 + 0.2e1 / 0.3e1 * t2930 + 0.2e1 / 0.9e1 * t2933 + 0.2e1 / 0.9e1 * t2939 + 0.2e1 / 0.3e1 * … in func_pol()
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| H A D | gga_c_lm.c | 856 double t2912, t2916, t2918, t2919, t2934, t2935, t2938, t2939; in func_pol() local
2235 t2939 = t1704 * t2938; in func_pol()
2246 … * t241 * t1235 + 0.4e1 / 0.3e1 * t115 * t2935 + 0.40e2 / 0.81e2 * t108 * t2939 - 0.16e2 / 0.9e1 *… in func_pol()
2251 …t3061 = t68 * t69 * (t3027 + t3037) / 0.144e3 + (0.40e2 / 0.81e2 * t2939 - 0.16e2 / 0.9e1 * t2942 … in func_pol()
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| H A D | gga_c_p86.c | 963 double t2932, t2933, t2935, t2939, t2940, t2943, t2944, t2945; in func_pol() local
2381 t2939 = t317 * t181 * t86 * t97; in func_pol()
2382 t2940 = 0.70e2 / 0.3e1 * t2939; in func_pol()
2443 t3052 = 0.140e3 / 0.3e1 * t2939; in func_pol()
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| H A D | gga_x_ncap.c | 1186 double t2930, t2936, t2939, t2948, t2977, t2999, t3002, t3009; in func_ferr() local
1980 t2939 = t1799 * t1103; in func_ferr()
1981 …8 * t114 * t1045 + 0.2e1 / 0.9e1 * t193 * t2936 - 0.32e2 / 0.9e1 * t183 * t2939 - t394 * t1754 / 0… in func_ferr()
2078 …8 / 0.8e1 + t1163 * t1104 / 0.4e1 + t1238 * t835 / 0.8e1 - 0.3e1 * t394 * t2939 - t394 * t3164 / 0… in func_ferr()
2264 double t2923, t2934, t2936, t2939, t2943, t2944, t2946, t2949; in func_pol() local
3742 t2939 = t1022 * t212; in func_pol()
3743 …5 * t243 / 0.72e2 + t454 * t2911 * t667 / 0.36e2 - t2934 * t2936 / 0.864e3 + t41 * t2939 / 0.36e2); in func_pol()
4685 t8062 = t114 * t2939; in func_pol()
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| H A D | gga_x_lg93.c | 1039 double t2920, t2929, t2939, t2950, t2957, t2960, t2967, t2969; in func_pol() local
2908 t2939 = t945 * t350 * t1099; in func_pol()
2917 …141 * t2929 * t493 * t390 - 0.5e1 / 0.27e2 * t2577 * t142 * t226 * t946 + t2939 / 0.9e1 + t945 * t… in func_pol()
2983 …t3391 = 0.2e1 / 0.27e2 * t2939 - t2950 / 0.9e1 + 0.2e1 / 0.9e1 * t2957 - t2960 / 0.9e1 + 0.8116766… in func_pol()
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| H A D | gga_c_pbeloc.c | 1011 double t2932, t2939, t2971, t2974, t3018, t3026, t3034, t3045; in func_ferr() local
1762 t2939 = t1302 * t416; in func_ferr()
1764 …e1 + t195 * t36 * (t2786 + t2844 + t2879 + t2932) * t189 / 0.2e1 - t514 * t2939 * t188 / 0.2e1 - 0… in func_ferr()
1774 …v4sigma4[0] = t195 * t36 * t3034 * t189 / 0.2e1 - 0.2e1 * t514 * t2939 * t228 + 0.6e1 * t514 * t27… in func_ferr()
2003 double t2933, t2938, t2939, t2942, t2945, t2947, t2948, t2953; in func_pol() local
4416 t2939 = t863 * t2938; in func_pol()
4421 …576 * t354 - 0.2e1 * t2579 * t354 - 0.2e1 * t2933 * t354 + 0.2e1 * t343 * t2939 - 0.6e1 * t343 * t… in func_pol()
6638 …93 * t2391 + 0.6e1 * t993 * t2411 - 0.3e1 * t2933 * t888 + 0.6e1 * t616 * t2939 - 0.18e2 * t616 * … in func_pol()
6646 …5 * t1097 - 0.3e1 * t2407 * t1125 - 0.3e1 * t2579 * t888 + 0.6e1 * t858 * t2939 - 0.18e2 * t858 * … in func_pol()
7116 …t11098 = 0.4e1 * t993 * t2939 + 0.8e1 * t2933 * t1097 - 0.6e1 * t343 * t2416 * t1269 * t887 + 0.4e… in func_pol()
[all …]
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| H A D | gga_x_sfat.c | 148 double t2933, t2939, t2944, t2945, t2952, t2967, t2993, t3010; in func_unpol() local
1168 t2939 = t1117 * t1147; in func_unpol()
1172 … t2717 - 0.6e1 * t1260 * t733 * t2933 - 0.12e2 * t1260 * t39 * t8 * t20 * t2939 * t466 + 0.12e2 * … in func_unpol()
1383 …4409 * t184 + 0.360e3 * t2005 * t1928 * t2925 + 0.144e3 * t2005 * t1936 * t2939 - 0.1440e4 * t2005… in func_unpol()
3090 double t2939, t2941, t2942, t2946, t2954, t2958, t2960, t2961; in func_pol() local
4684 t2939 = t1074 * t1103 * t1; in func_pol()
4692 …0.8e1 * t2931 * t1078 - 0.27e2 / 0.4e1 * t1104 * t2935 + 0.27e2 / 0.8e1 * t2939 * t2942 + t2946 * … in func_pol()
6149 …t2939 * t68 * t8123 - 0.28e2 / 0.27e2 * t397 * t1020 * M_PI * t401 - 0.4e1 / 0.3e1 * t2946 * t1090… in func_pol()
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| H A D | gga_x_am05.c | 1730 double t2938, t2939, t2946, t2949, t2952, t2953, t2956, t2957; in func_pol() local
3160 t2939 = t1888 * t144; in func_pol()
3167 …1155 / 0.192e3 + t962 * t2931 / 0.4e1 + t2934 * t2935 / 0.384e3 - t2938 * t2939 / 0.384e3 - t2701 … in func_pol()
3803 …t2627 / 0.12e2 - t413 * t2631 / 0.12e2 - t2720 * t2935 / 0.48e2 + t2724 * t2939 / 0.48e2 - 0.3e1 /… in func_pol()
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| H A D | gga_c_op_pw91.c | 846 double t2929, t2930, t2931, t2934, t2935, t2938, t2939, t2942; in func_pol() local
2373 t2939 = t791 * t2938; in func_pol()
2381 …0110514000000000000e0 * t2134 * t2935 + 0.20036838000000000000e0 * t283 * t2939 + 0.10018419000000… in func_pol()
3716 …t8791 = 0.20036838000000000000e0 * t670 * t2939 + 0.20036838000000000000e0 * t283 * t791 * t2561 *… in func_pol()
3769 t9165 = t667 * t2939; in func_pol()
3852 …000000e0 * t283 * t791 * t797 * t1838 + 0.60110514000000000000e0 * t825 * t2939 - 0.18033154200000… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_m06l.c | 4920 t2939 = t34 * t217; in func_ferr()
9105 t3289 = t983 * t2939; in func_pol()
9108 t3302 = t989 * t2939; in func_pol()
9111 t3315 = t995 * t2939; in func_pol()
12246 t9064 = t2939 * t285; in func_pol()
13936 t12121 = t2939 * t55; in func_pol()
14098 t12313 = t323 * t2939; in func_pol()
14232 t12602 = t392 * t2939; in func_pol()
14248 t12643 = t403 * t2939; in func_pol()
14894 t13748 = t2939 * t308; in func_pol()
[all …]
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| H A D | mgga_x_tm.c | 139 double t2939, t2941, t2943, t2945, t2946, t2955, t2958, t2961; in func_unpol() local
1231 t2939 = t868 * t265; in func_unpol()
1234 t2945 = 0.6e1 * t265 * t874 + 0.2e1 * t2937 + 0.18e2 * t2939 + 0.54e2 * t2941 + 0.9e1 * t2943; in func_unpol()
1236 t2955 = t983 * t2939; in func_unpol()
1237 t2958 = t21 * t2939; in func_unpol()
1247 t3013 = t1022 * t2939; in func_unpol()
1248 t3016 = t76 * t2939; in func_unpol()
1250 t3026 = t1010 * t2939; in func_unpol()
1821 t8386 = t3079 * t2939; in func_unpol()
1825 t8395 = t3134 * t2939; in func_unpol()
[all …]
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| H A D | mgga_c_vsxc.c | 2035 double t2888, t2894, t2906, t2921, t2926, t2939, t2949, t2971; in func_ferr() local
2879 t2939 = t1348 * t89; in func_ferr()
2885 … = -0.3109070e-1 * t32 * t2939 + 0.53237641966666666666e-3 * t94 * t95 * t2939 + 0.100000000000000… in func_ferr()
3198 double t2936, t2937, t2939, t2940, t2942, t2944, t2947, t2949; in func_pol() local
5775 t2939 = t259 * t160; in func_pol()
5776 t2940 = t2939 * t2330; in func_pol()
8924 t8925 = t2939 * t8829; in func_pol()
9055 t9103 = t2939 * t8962; in func_pol()
9741 t10116 = t2939 * t10115; in func_pol()
9940 t10319 = t2939 * t10318; in func_pol()
[all …]
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| H A D | mgga_x_m11_l.c | 130 double t2939, t2946, t2947, t2950, t2951, t2954, t2955, t2958; in func_unpol() local
1105 t2939 = t1183 * t88; in func_unpol()
1182 …t607 * t2805 + 0.440e3 / 0.9e1 * t610 * t2805 + 0.440e3 / 0.27e2 * t593 * t2939 + 0.2000e4 * t606 … in func_unpol()
2213 double t2939, t2942, t2949, t2968, t2978, t2987, t2996, t3005; in func_ferr() local
3075 t2939 = t183 * t117; in func_ferr()
3076 …84 + 0.8000e4 * t458 * t2696 + 0.10000e5 / 0.3e1 * t181 * t2652 + 0.7000e4 / 0.3e1 * t2939 * t2684; in func_ferr()
3241 …t4091 = 0.200e3 * t1184 * t3900 + 0.500e3 * t442 * t3847 - 0.1400e4 * t2939 * t3821 - 0.5400e4 * t… in func_ferr()
3439 …69 * t5642 - 0.60e2 * t2917 * t5631 - 0.120e3 * t2926 * t5636 - 0.504e3 * t2939 * t5598 - 0.720e3 … in func_ferr()
3845 …t11063 = -0.30240e5 * t2939 * t10746 - 0.8400e4 * t6394 * t10746 - 0.48000e5 * t2949 * t10750 - 0.… in func_ferr()
3849 … * t4956 + 0.6720e4 * t1207 * t4975 + 0.120e3 * t163 * t4938 + 0.2520e4 * t2939 * t4975 + 0.3600e4… in func_ferr()
[all …]
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| H A D | mgga_x_revtm.c | 141 double t2920, t2923, t2926, t2929, t2938, t2939, t2940, t2943; in func_unpol() local
1250 t2939 = 0.18e2 * t2938; in func_unpol()
1257 … * t2156 * t229 - 0.324e3 * t381 * t2943 + 0.36e2 * t539 * t800 - t2842 + t2939 - t2947 + t2951 + … in func_unpol()
2431 double t2939, t2942, t2949, t2954, t2955, t2956, t2957, t2960; in func_ferr() local
3531 t2939 = 0.6e1 * t2938; in func_ferr()
4717 double t2939, t2941, t2943, t2945, t2949, t2956, t2959, t2962; in func_pol() local
6469 t2939 = t147 * t147; in func_pol()
6470 t2941 = 0.1e1 / t139 / t2939; in func_pol()
7650 t6441 = 0.1e1 / t2939; in func_pol()
8458 t8991 = t2939 * rho[1]; in func_pol()
[all …]
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| H A D | mgga_x_mvs.c | 2019 double t2931, t2932, t2936, t2939, t2943, t2945, t2948, t2949; in func_pol() local
4073 …t2939 = -0.1250e4 / 0.729e3 * t2932 + 0.16250e5 / 0.6561e4 * t988 + 0.325e3 / 0.486e3 * t992 - 0.1… in func_pol()
4074 …+ 0.5e1 / 0.36e2 * t616 * t2923 + 0.5e1 / 0.16e2 * t99 * t2926 * t247 - t99 * t236 * t2939 / 0.4e1; in func_pol()
5561 t8276 = t623 * t2939; in func_pol()
5562 t8282 = t617 * t2939; in func_pol()
6178 …t816 + 0.5e1 / 0.8e1 * t99 * t2523 * t1070 + 0.5e1 / 0.8e1 * t99 * t913 * t2939 + 0.5e1 / 0.16e2 *… in func_pol()
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| H A D | mgga_x_2d_js17.c | 982 double t2898, t2904, t2906, t2917, t2926, t2931, t2939, t2943; in func_pol() local
2662 …t2939 = -0.11091300662450286850e-1 * t2818 + 0.33273901987350860550e-1 * t2820 + 0.554565033122514… in func_pol()
2664 v4rho3tau[2] = t2898 + t2939; in func_pol()
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