| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_pkzb.c | 2609 double t2901, t2905, t2906, t2909, t2910, t2913, t2914, t2919; in func_pol() local
5954 …t2913 = t1286 + 0.7e1 / 0.72e2 * t2143 + t1291 * t2858 / 0.16e2 - t477 * t2862 / 0.48e2 + 0.428740… in func_pol()
5955 t2914 = t2913 * t149; in func_pol()
5959 … * t155 - 0.65854491829355115987e0 * t484 * t2923 * t155 + 0.65854491829355115987e0 * t158 * t2913; in func_pol()
9018 …97613069591e1 * t1303 * t9646 * t1307 - 0.19756347548806534796e1 * t484 * t2913 * t833 * t155 - 0.… in func_pol()
10229 t12191 = t2913 * t1031; in func_pol()
14892 …341796731742046394e1 * t2250 * t26728 - 0.65854491829355115987e0 * t484 * t2913 * t1475 * t155 + 0… in func_pol()
14893 t27414 = t2913 * t1305; in func_pol()
15091 …t2913 * t2170 - 0.23707617058567841754e2 * t7610 * t28239 - 0.19756347548806534796e1 * t484 * t286… in func_pol()
15524 t32389 = t2913 * t2865; in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 131 double t2891, t2894, t2897, t2902, t2905, t2912, t2913, t2916; in func_unpol() local
1104 t2913 = t160 * t1371; in func_unpol()
1106 …23 + 0.125e3 / 0.15552e5 * t1703 * t1371 - 0.625e3 / 0.139968e6 * t2912 * t2913 - 0.125e3 / 0.1944… in func_unpol()
1114 …23 - 0.125e3 / 0.15552e5 * t1706 * t1371 - 0.625e3 / 0.139968e6 * t2955 * t2913 + 0.125e3 / 0.1944… in func_unpol()
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| H A D | mgga_x_mggac.c | 23674 double t2910, t2911, t2913, t2916, t2917, t2920, t2927, t2936; in func_pol() local
30073 t2913 = t18 * t2911 * t236; in func_pol()
30096 …t2967 = t2913 * t241 / 0.4e1 - t2069 * t2917 / 0.2e1 - 0.4e1 / 0.3e1 * t2074 * t2920 - 0.2e1 / 0.3… in func_pol()
41513 …8936 + 0.2e1 * t9353 * t18939 + t9362 * t18942 + 0.4e1 * t9356 * t18939 + t2913 * t1642 / 0.2e1 + … in func_pol()
42091 …t19964 = 0.4e1 * t3325 * t6595 + 0.96e2 * t15976 * t19939 + t2913 * t2088 / 0.2e1 + t435 * t16173 … in func_pol()
42195 …t20182 = -0.8e1 / 0.3e1 * t2074 * t19992 - 0.4e1 / 0.3e1 * t2078 * t19992 - t2913 * t3329 / 0.4e1 … in func_pol()
58958 …t2913 * t11607 / 0.2e1 + 0.192e3 * t9578 * t6410 * t92559 - 0.8e1 * t2525 * t41960 - t11603 * t135… in func_pol()
60713 …t2913 * t15961 / 0.4e1 + 0.4e1 / 0.3e1 * t75752 * t13495 + t76853 * t11367 / 0.2e1 + t103931 * t11… in func_pol()
63697 …2e1 * t2913 * t17573 + 0.3e1 / 0.2e1 * t549 * t118411 + 0.512e3 * t9514 * t121552 + t2516 * t18888… in func_pol()
64365 …- 0.4e1 / 0.3e1 * t2078 * t121645 - t18864 * t3329 / 0.4e1 - t2913 * t19907 / 0.2e1 - t2913 * t199… in func_pol()
[all …]
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| H A D | mgga_c_b88.c | 2590 double t2908, t2909, t2910, t2911, t2912, t2913, t2914, t2915; in func_pol() local
5058 t2913 = t502 * t11; in func_pol()
5059 t2914 = t2913 * t217; in func_pol()
8099 …t9284 = -0.65244728888888888895e-3 * t1973 * t11 * t217 - 0.13048945777777777779e-2 * t2913 * t514… in func_pol()
8940 …80000000000000000000e0 * t9 * t15174 * t187 - 0.86992971851851851860e-3 * t2913 * t1085 - 0.672000… in func_pol()
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| H A D | mgga_xc_b98.c | 203 double t2909, t2910, t2912, t2913, t2914, t2916, t2918, t2919; in func_unpol() local
1827 t2913 = t648 * t2912; in func_unpol()
1828 t2914 = t252 * t2913; in func_unpol()
2626 …t2913 + 0.50000000000000000000e0 * t252 * t648 * t218 * t1182 - 0.50000000000000000000e0 * t519 * … in func_unpol()
5532 double t2909, t2910, t2911, t2913, t2915, t2918, t2920, t2923; in func_pol() local
8807 t2913 = t2806 * t2574; in func_pol()
8812 …t2926 = 0.36809953703703703703e-1 * t814 - 0.36073754629629629630e-3 * t2913 + 0.70704559074074074… in func_pol()
8947 …t3130 = -0.14723981481481481482e0 * t814 + 0.14429501851851851852e-2 * t2913 - 0.28281823629629629… in func_pol()
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| H A D | mgga_c_kcis.c | 8952 t2913 = 0.1e1 / t2912; in func_pol()
8953 t2914 = t136 * t2913; in func_pol()
13510 t12689 = t2913 * t1251; in func_pol()
14493 t15129 = t2913 * t949; in func_pol()
17796 t24333 = t36 * t2913; in func_pol()
19171 t27084 = t6 * t2913; in func_pol()
20785 t29888 = t2913 * t291; in func_pol()
21097 t31439 = t2913 * t448; in func_pol()
22564 t40413 = t2913 * t3252; in func_pol()
23354 t45246 = t2913 * t2257; in func_pol()
[all …]
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| H A D | mgga_x_scan.c | 3161 double t2907, t2908, t2909, t2911, t2912, t2913, t2914, t2915; in func_pol() local
5162 t2913 = 0.49479000000000000000e1 * t2912; in func_pol()
5188 …t2942 = t2883 - t2888 - t2892 + t2894 + t2896 - t2898 + t2903 - t2905 - t2907 + t2909 - t2913 - t2… in func_pol()
7380 …t9035 = -t2913 - t2915 + t10 * (t8899 + 0.74218500000000000000e2 * t8187 - 0.20670969013457307543e… in func_pol()
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| H A D | mgga_x_2d_prhg07.c | 4419 double t2906, t2909, t2910, t2913, t2914, t2922, t2924, t2926; in func_pol() local
6915 t2913 = t253 * t484; in func_pol()
6916 t2914 = t493 * t2913; in func_pol()
6978 t3032 = t551 * t2913; in func_pol()
10128 …172 * t1842 * t419 / 0.4e1 + t141 * t8709 * t723 / 0.4e1 + t141 * t2028 * t2913 / 0.2e1 + 0.3e1 / … in func_pol()
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| H A D | mgga_c_bc95.c | 2203 double t2910, t2911, t2912, t2913, t2914, t2915, t2916, t2917; in func_pol() local
4836 t2913 = t1071 * t645; in func_pol()
4837 t2914 = 0.27777777777777777778e1 * t2913; in func_pol()
8443 …1 * t2905 + 0.23582871703703703704e2 * t2911 + 0.11111111111111111111e2 * t2913 - 0.21442639331590… in func_pol()
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| H A D | mgga_x_br89_explicit.c | 158 double t2900, t2903, t2904, t2907, t2908, t2910, t2913, t2928; in func_unpol() local
1899 t2913 = t389 * t304; in func_unpol()
3812 …955 - 0.97639459170768217533e0 * t742 * t552 - 0.32546486390256072511e0 * t2913 * t179 - 0.1952789… in func_unpol()
3959 …1 + 0.73229594378076163148e0 * t305 * t10096 - 0.10848828796752024170e0 * t2913 * t702 - 0.8136621… in func_unpol()
3961 …1 * t7 * t2537 + 0.2e1 / 0.3e1 * t390 * t889 + 0.65092972780512145020e0 * t2913 * t185 + 0.1464591… in func_unpol()
13800 double t2913, t2915, t2916, t2919, t2923, t2931, t2932, t2934; in func_pol() local
17599 t2913 = t2092 * t431; in func_pol()
17600 …014110814000618063e2 * t2909 + 0.28750593632170942690e2 * t2911 - 0.45486493067751434725e3 * t2913; in func_pol()
17604 …047822207048052815e2 * t2909 + 0.15145375201766082652e2 * t2911 - 0.45486492909935781305e3 * t2913; in func_pol()
17609 …699411788694584411e4 * t2909 + 0.57484800153315005913e4 * t2911 + 0.24787080973994053950e5 * t2913; in func_pol()
[all …]
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| H A D | mgga_c_revscan.c | 2131 double t2909, t2913, t2917, t2920, t2922, t2925, t2929, t2933; in func_ferr() local
3390 t2913 = 0.12865583598954028054e3 * t376 * t1026 * t378 * t151; in func_ferr()
3403 …t2950 = -t2903 + t2909 - t2913 - t2917 + t2920 + t2922 + t2925 + t2929 + t2933 + t2937 - t2939 - t… in func_ferr()
3424 …t3065 = t3063 * t125 + 0.4e1 * t1361 * t274 + 0.6e1 * t604 * t608 + t2903 - t2909 + t2913 + t2917 … in func_ferr()
3932 double t2909, t2910, t2912, t2913, t2916, t2917, t2922, t2923; in func_pol() local
7622 t2913 = t2912 * t2885; in func_pol()
7623 …3(t204, t2905 * t210 + t2904, 0.17970679012345679013e0 * t2910 + 0.15275077160493827161e0 * t2913); in func_pol()
7639 …3(t204, t2938 * t210 + t2937, 0.35941358024691358025e0 * t2910 + 0.30550154320987654321e0 * t2913); in func_pol()
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| H A D | mgga_c_vsxc.c | 3196 double t2909, t2911, t2912, t2913, t2915, t2916, t2918, t2920; in func_pol() local
5760 t2913 = t2108 * t2912; in func_pol()
5767 …t2927 = 0.2e1 * t2920 * t169 + 0.2e1 * t2913 - 0.4e1 * t2916 + 0.6e1 * t2918 - 0.6e1 * t2923 + 0.1… in func_pol()
9395 …t9591 = -0.12e2 * t9555 - 0.52e2 / 0.3e1 * t2913 + 0.52e2 / 0.3e1 * t9559 + 0.12e2 * t9561 + 0.52e… in func_pol()
13285 …3 * t9566 + 0.40e2 * t9575 - 0.160e3 / 0.3e1 * t9579 + 0.1040e4 / 0.9e1 * t2913 + 0.1040e4 / 0.3e1… in func_pol()
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| H A D | mgga_x_mn12.c | 2032 double t2901, t2904, t2907, t2910, t2913, t2916, t2920, t2921; in func_ferr() local
2853 t2913 = t129 * t476; in func_ferr()
2859 …69 + 0.10666666666666666666e0 * t2910 * t69 + 0.14222222222222222221e-1 * t2913 * t388 + 0.5688888… in func_ferr()
3285 …70 - 0.56888888888888888887e0 * t2910 * t243 - 0.11377777777777777777e0 * t2913 * t1046 - 0.213333… in func_ferr()
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| H A D | mgga_x_vt84.c | 167 double t2911, t2913, t2914, t2917, t2919, t2922, t2927, t2933; in func_unpol() local
1552 t2913 = t2890 * t102; in func_unpol()
1553 t2914 = t2913 * t104; in func_unpol()
2924 …4162935614e-4 * t1930 * t1118 * t704 + 0.87536773244162935614e-4 * t566 * t2913 * t704 - 0.1418095… in func_unpol()
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| H A D | hyb_mgga_x_js18.c | 8596 double t2897, t2898, t2901, t2904, t2913, t2917, t2921, t2923; in func_pol() local
11356 t2913 = t83 * t2810; in func_pol()
11360 …536e4 * t519 * t976 - 0.11520e5 * t519 * t978 - 0.8e1 * t2810 + 0.768e3 * t2913 - 0.2880e4 * t2917… in func_pol()
13320 t9012 = t2913 * t519; in func_pol()
18054 t27959 = t2913 * t1981; in func_pol()
18108 …4e6 * t1981 * t2956 - 0.26542080e8 * t1981 * t8997 - 0.103680e6 * t1987 * t2913 + 0.2424870e7 * t1… in func_pol()
19137 t35274 = t2913 * t3534; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | hyb_gga_xc_wb97.c | 1938 double t2909, t2913, t2914, t2918, t2919, t2920, t2921, t2922; in func_pol() local
4455 …t2913 = 0.2e1 * t622 * t974 + 0.2e1 * t2824 + t1485 + t1487 / 0.81e2 - t1490 / 0.27e2 + t2829 / 0.… in func_pol()
4456 t2914 = t132 * t2913; in func_pol()
6712 t8284 = t2913 * t590; in func_pol()
10229 t20566 = t2913 * t1371; in func_pol()
10243 t20630 = t2913 * t1378; in func_pol()
11096 …/ 0.81e2 * t446 * t588 * t26632 * t567 - 0.32e2 / 0.81e2 * t2491 * t140 * t2913 * t2790 - 0.16e2 /… in func_pol()
11099 …243e3 * t446 * t1439 * t14331 * t3171 + 0.32e2 / 0.243e3 * t2491 * t616 * t2913 * t2780 - 0.64e2 /… in func_pol()
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| H A D | gga_x_gg99.c | 3570 double t2912, t2913, t2914, t2915, t2916, t2917, t2918, t2919; in func_pol() local
5765 t2913 = t169 * t2912; in func_pol()
5766 t2914 = t2559 * t2913; in func_pol()
8057 t9270 = t8322 * t2913; in func_pol()
8141 …t1534 * t2922 * t1086 - 0.8e1 / 0.9e1 * t9248 - 0.16e2 / 0.27e2 * t8892 * t2913 - 0.16e2 / 0.9e1 *… in func_pol()
8884 … * t169 * t14415 * t1103 / 0.3e1 + 0.8e1 / 0.9e1 * t4216 * t2918 - 0.4e1 / 0.27e2 * t12882 * t2913; in func_pol()
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| H A D | gga_c_bmk.c | 1406 double t2913, t2914, t2915, t2916, t2919, t2921, t2923, t2925; in func_pol() local
3378 t2913 = t1032 * t367; in func_pol()
3379 t2914 = 0.93270000000000000000e-1 * t2913; in func_pol()
5536 …0 * t2908 - 0.18654000000000000000e0 * t2911 - 0.37308000000000000000e0 * t2913 + 0.4e1 * t3336 - … in func_pol()
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| H A D | gga_c_regtpss.c | 2401 double t2912, t2913, t2916, t2917, t2919, t2920, t2922, t2932; in func_pol() local
4788 t2913 = t2910 * t2912; in func_pol()
4793 …213 - t2221 - 0.7e1 / 0.48e2 * t2223 - 0.85748036236139473944e-2 * t752 * t2913 - t2236 + t2919 - … in func_pol()
7012 t8545 = t2441 * t2913; in func_pol()
8622 t15611 = t4403 * t2913; in func_pol()
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| H A D | gga_x_wpbeh.c | 167 double t2906, t2909, t2910, t2913, t2941, t2944, t2945, t2954; in func_unpol() local
1889 t2913 = t125 * t2850; in func_unpol()
1891 …t2913 + 0.65022612931984162108e3 * t407 * t2850 + 0.32511306465992081054e3 * t407 * t2896 + 0.8127… in func_unpol()
3400 t8243 = t2913 * t390; in func_unpol()
3403 t8260 = 0.97533919397976243162e3 * t4736 * t2913; in func_unpol()
6657 double t2913, t2916, t2917, t2922, t2923, t2933, t2940, t2943; in func_ferr() local
8365 t2913 = t2912 * t235; in func_ferr()
8370 …t229 * t2898 - 0.7e1 / 0.32e2 * t229 * t2901 - 0.23751029502456895713e1 * t2913 * t239 - 0.2375102… in func_ferr()
10128 …t9318 = 0.59820317468061165924e1 * t2917 * t2121 + 0.59820317468061165924e1 * t2913 * t2121 + 0.18… in func_ferr()
11652 …* t2912 * t1212 * t240 + 0.19940105822687055308e1 * t2913 * t4727 - 0.99700529113435276540e0 * t29… in func_ferr()
[all …]
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| H A D | gga_x_hjs.c | 147 double t2903, t2908, t2909, t2912, t2913, t2916, t2917, t2920; in func_unpol() local
1250 t2913 = t2912 * t1232; in func_unpol()
1293 …t3064 = -0.11818222222222222222e-1 * t256 * t2909 - 0.78788148148148148148e-2 * t256 * t2913 + 0.2… in func_unpol()
2004 …788148148148148147e-2 * t478 * t2909 + 0.52525432098765432098e-2 * t478 * t2913 - 0.47272888888888… in func_unpol()
2340 double t2873, t2881, t2895, t2902, t2903, t2904, t2909, t2913; in func_ferr() local
3433 t2913 = t273 * (t2424 + t2456 + t2536 + t2564 + t2598 + t2648 + t2697 + t2909); in func_ferr()
3435 v3rho2sigma[0] = -t2201 * t656 / 0.6e1 - t1027 * t1365 - 0.3e1 / 0.8e1 * t272 * t2913; in func_ferr()
4023 …224 * t1 * t656 / 0.9e1 - t2201 * t1365 / 0.2e1 - 0.3e1 / 0.2e1 * t1027 * t2913 - 0.3e1 / 0.8e1 * … in func_ferr()
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| H A D | gga_c_zvpbeloc.c | 2122 double t2883, t2887, t2891, t2893, t2897, t2905, t2909, t2913; in func_pol() local
4469 t2913 = 0.7e1 / 0.576e3 * t2456 * t1113; in func_pol()
4475 …* t1140 / 0.1536e4 + t1100 * t2905 / 0.768e3 + t1100 * t2909 / 0.1536e4 - t2913 + t2914 * t692 / 0… in func_pol()
4646 …t3393 = -0.35e2 / 0.216e3 * t2027 + t2891 - t2913 + 0.7e1 / 0.2304e4 * t3359 + 0.7e1 / 0.4608e4 * … in func_pol()
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| H A D | gga_c_gaploc.c | 6208 double t2902, t2903, t2904, t2907, t2908, t2909, t2912, t2913; in func_pol() local
9662 t2913 = t2912 * t684; in func_pol()
9673 …0291446024714263e-3 * t1737 * t2909 - 0.23071578690426672851e-1 * t2488 * t2913 - 0.85450291446024… in func_pol()
12161 …t2913 + 0.15381052460284448567e-1 * t5111 * t8808 - 0.15381052460284448567e-1 * t5125 * t2885 + 0.… in func_pol()
17130 …2007420e0 * t2488 * t27652 * t1875 - 0.30762104920568897136e-1 * t24530 * t2913 - 0.23071578690426… in func_pol()
17136 …80018553e-1 * t2488 * t27443 * t684 - 0.18457262952341338281e0 * t24520 * t2913 + 0.10254034973522… in func_pol()
17139 …7262952341338281e0 * t7283 * t8803 - 0.69214736071280018553e-1 * t24571 * t2913 + 0.30762104920568… in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
| H A D | mpfr_yukawa.f90 | 792 t2857,t2875,t2877,t2881,t2885,t2888,t2891,t2895,t2901,t2906,t2913,t2918,& local
2371 …t2913 = .CONVERT."0.1819125D7" / .CONVERT."0.32D2" * t826 + .CONVERT."0.495D3" / .CONVERT."0.4D1" …
2553 + t2831 + t2857 + t2881 + t2913 + t2942 + t2970 + t3007 + t3291
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| /dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
| H A D | mpfr_yukawa.f90 | 792 t2857,t2875,t2877,t2881,t2885,t2888,t2891,t2895,t2901,t2906,t2913,t2918,& local
2371 …t2913 = .CONVERT."0.1819125D7" / .CONVERT."0.32D2" * t826 + .CONVERT."0.495D3" / .CONVERT."0.4D1" …
2553 + t2831 + t2857 + t2881 + t2913 + t2942 + t2970 + t3007 + t3291
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