| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_zvpbeint.c | 2329 double t3076, t3077, t3079, t3080, t3082, t3083, t3084, t3085; in func_pol() local
4984 t3083 = t112 * t1706; in func_pol()
4986 t3085 = t3083 * t3084; in func_pol()
5049 t3180 = t3083 * t3179; in func_pol()
5895 t4759 = t3083 * t4758; in func_pol()
5984 t4911 = t3083 * t4910; in func_pol()
7700 … * t388 + 0.18e2 * t3101 * t507 * t614 * t315 + 0.18e2 * t3083 * t2295 * t1115 + 0.18e2 * t3083 * … in func_pol()
7783 …t9504 = 0.24e2 * t3083 * t3092 * t1115 - 0.24e2 * t3083 * t1535 * t9484 + 0.3e1 * t308 * t309 * t9… in func_pol()
9175 … * t14369 + 0.12e2 * t3083 * t4469 * t1115 + t7651 * t1456 - 0.2e1 * t2292 * t4932 + 0.12e2 * t308… in func_pol()
9336 …t16325 = 0.6e1 * t2292 * t5077 - 0.6e1 * t3083 * t1656 * t12283 + 0.12e2 * t3083 * t1391 * t3404 +… in func_pol()
[all …]
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| H A D | gga_x_b88.c | 741 double t2902, t2919, t2927, t2936, t2945, t3082, t3083, t3091; in func_pol() local
1828 t3083 = t55 * t1048; in func_pol()
1829 …15 + 0.16e2 / 0.3e1 * t99 * t154 * t2512 * t214 * t1049 - 0.4e1 * t3082 * t3083 * t1394 * t439 + 0… in func_pol()
1897 …t3083 * t214 * t414 - 0.4e1 / 0.3e1 * t99 * t154 * t1048 * t605 * t414 + 0.16e2 / 0.3e1 * t99 * t1… in func_pol()
1963 …t3083 * t585 * t169 + 0.8e1 / 0.3e1 * t99 * t1393 * t214 * t541 + 0.16e2 / 0.9e1 * t21 * t512 * t6… in func_pol()
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| H A D | gga_c_p86.c | 973 double t3083, t3086, t3089, t3090, t3091, t3092, t3094, t3097; in func_pol() local
2461 t3083 = 0.243872475e-2 * t1165; in func_pol()
2471 …e-2 * t1153 + t3079 - t3080 - 0.85355366250000000000e-2 * t1159 + t3082 - t3083 - 0.6e1 * t1168 - … in func_pol()
2533 …187 - t1291 - t3188 + t1216 - 0.56903577500000000000e-2 * t1159 + t3082 - t3083 - 0.4e1 * t1168 - … in func_pol()
2593 …577500000000000e-2 * t1239 + t3187 - 0.4e1 * t1244 - t3188 - t1219 + t3082 - t3083 - t1222 + t1224; in func_pol()
2627 …0000e-2 * t1277 - 0.3e1 * t1279 - 0.6e1 * t1244 + t3079 - t3080 + t3082 - t3083 - t3086 - t3089 + … in func_pol()
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| H A D | gga_c_lyp.c | 560 double t3071, t3073, t3077, t3080, t3081, t3083, t3087, t3089; in func_pol() local
2009 t3083 = t1081 * t1431; in func_pol()
2115 …0.27e2 * t3073 - t3077 + t3080 + 0.8e1 / 0.3e1 * t3081 + 0.32e2 / 0.9e1 * t3083 + t3087 - 0.4e1 / … in func_pol()
2305 …t4325 = 0.8e1 / 0.3e1 * t3083 + t3087 - t3089 / 0.3e1 - 0.2e1 / 0.3e1 * t3092 - 0.2e1 / 0.3e1 * t3… in func_pol()
2440 …t5145 = -t3077 + t3080 + 0.4e1 / 0.9e1 * t3081 + 0.16e2 / 0.9e1 * t3083 + t3087 - 0.2e1 / 0.9e1 * … in func_pol()
2542 …t5768 = -t3077 + t3080 + 0.8e1 / 0.9e1 * t3083 + t3087 - 0.2e1 / 0.9e1 * t3095 - t3100 + t5763 / 0… in func_pol()
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| H A D | gga_c_am05.c | 926 double t3083, t3086, t3088, t3096, t3100, t3107, t3144, t3146; in func_pol() local
2196 t3083 = t668 * t1489; in func_pol()
2206 …v4rho3sigma[0] = 0.3e1 / 0.2e1 * t3083 + 0.3e1 / 0.2e1 * t3086 + 0.3e1 * t3088 + t1082 * t289 / 0.… in func_pol()
2221 …0.2e1 + t260 * t1463 / 0.2e1 + t260 * t1466 + t584 * t671 + t584 * t690 + t3083 / 0.2e1 + t3086 / … in func_pol()
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| H A D | gga_c_lm.c | 859 double t3071, t3073, t3076, t3078, t3080, t3081, t3082, t3083; in func_pol() local
2262 t3083 = 0.3e1 / 0.2e1 * t3082; in func_pol()
2283 …t3117 = t3081 - t3083 + t3086 + t3090 + t3092 - t3095 + t3098 - t3101 + 0.2156e4 / 0.243e3 * t45 *… in func_pol()
2406 …t3335 = t3081 - t3083 + t3086 + t3090 + t3092 - t3095 + t3098 - t3101 - 0.7e1 / 0.27e2 * t280 * t7… in func_pol()
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| H A D | gga_x_ft97.c | 1081 double t3080, t3083, t3086, t3096, t3099, t3102, t3103, t3108; in func_pol() local
2357 t3083 = t7 * t283 * t1279; in func_pol()
2371 …4 * t240 * t881 / 0.2e1 - 0.4e1 * t3077 - 0.2e1 * t3080 - 0.2e1 / 0.3e1 * t3083 - 0.2e1 / 0.3e1 * … in func_pol()
2393 …+ t3059 - 0.4e1 / 0.3e1 * t3077 - 0.2e1 / 0.3e1 * t3080 - 0.2e1 / 0.9e1 * t3083 - 0.4e1 / 0.9e1 * … in func_pol()
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| H A D | gga_x_ncap.c | 1188 double t3068, t3069, t3075, t3076, t3082, t3083, t3090, t3091; in func_ferr() local
1999 t3083 = t596 * t3082; in func_ferr()
2002 …3 * t3076 + 0.16e2 / 0.3e1 * t218 * t602 * t3075 + 0.4e1 / 0.9e1 * t193 * t3083 + 0.16e2 / 0.3e1 *… in func_ferr()
2049 …2305 + t394 * t2282 / 0.16e2 - t394 * t2276 / 0.16e2 - t298 * t3076 / 0.4e1 - t298 * t3083 / 0.4e1; in func_ferr()
2269 double t3071, t3072, t3076, t3077, t3082, t3083, t3089, t3091; in func_pol() local
3787 t3083 = t482 * t3082; in func_pol()
3800 …t3126 = t169 * t3055 * t170 / 0.32e2 + t3083 * t1001 / 0.32e2 - 0.3e1 / 0.8e1 * t488 * t3060 * t48… in func_pol()
4713 …24 - 0.324e3 * t3119 * t2728 + 0.3240e4 * t2726 * t8300 * t3514 * t3516 - t3083 * t802 / 0.24e2 + … in func_pol()
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| H A D | gga_x_sogga11.c | 1479 double t3082, t3083, t3084, t3089, t3103, t3105, t3117, t3118; in func_pol() local
2819 t3083 = t3082 / 0.3e1; in func_pol()
2826 …t3126 = t7 * t1030 * t267 * t1031 / 0.9e1 + t3083 - t7 * t3084 * t122 / 0.2e1 - t3089 / 0.6e1 + t2… in func_pol()
2887 …t3564 = t3050 - 0.5e1 / 0.9e1 * t3063 + t3067 / 0.3e1 - 0.5e1 / 0.9e1 * t3074 + t3083 - t3522 / 0.… in func_pol()
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| H A D | gga_x_q2d.c | 1161 double t3064, t3073, t3079, t3083, t3088, t3099, t3105, t3106; in func_pol() local
3019 t3083 = t7 * t78 * t1184 * t122; in func_pol()
3020 …e1 / 0.2e1 * t7 * t1222 * t180 - 0.5e1 / 0.36e2 * t3079 - 0.5e1 / 0.2e1 * t3083 - 0.5e1 / 0.12e2 *… in func_pol()
3085 … t1226 * t255 + t3500 / 0.12e2 - t3073 / 0.3e1 - 0.5e1 / 0.18e2 * t3079 + t3083 / 0.3e1 - 0.5e1 / … in func_pol()
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| H A D | gga_c_revtca.c | 1284 double t3080, t3082, t3083, t3084, t3086, t3089, t3091, t3093; in func_pol() local
3564 t3083 = t91 * t3082; in func_pol()
3565 t3084 = t3083 * t753; in func_pol()
4152 t5358 = t483 * t3083 * t905 * t5167; in func_pol()
4941 t7688 = t483 * t3083 * t252 * t3202; in func_pol()
6018 t10206 = t483 * t3083 * t194 * t10006; in func_pol()
6767 t11486 = t483 * t3083 * t644 * t11484; in func_pol()
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| H A D | gga_c_gapc.c | 1899 t3083 = t1446 * t6; in func_unpol()
1900 t3084 = t1877 * t3083; in func_unpol()
11754 t3083 = t1704 * t3082; in func_pol()
11755 t3084 = t606 * t3083; in func_pol()
12011 t3437 = t283 * t3083; in func_pol()
12875 t5432 = t581 * t3083; in func_pol()
12910 t5540 = t96 * t3083; in func_pol()
13719 t7781 = t239 * t3083; in func_pol()
13732 t7811 = t277 * t3083; in func_pol()
14364 t9050 = t589 * t3083; in func_pol()
[all …]
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| H A D | gga_x_n12.c | 1144 double t3072, t3074, t3075, t3076, t3077, t3081, t3083, t3084; in func_pol() local
2493 t3083 = t996 * t997 * t3081; in func_pol()
2494 t3084 = t3083 / 0.2e1; in func_pol()
3267 …* t2663 - 0.4e1 * t2666 - 0.2e1 * t2672 - 0.2e1 / 0.3e1 * t2675 - 0.2e1 * t3083 - 0.2e1 * t3087 - … in func_pol()
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| H A D | gga_c_sogga11.c | 2965 double t3073, t3075, t3076, t3077, t3078, t3080, t3081, t3083; in func_pol() local
5382 t3083 = t243 * t1080; in func_pol()
5383 t3084 = t3083 * t265; in func_pol()
5978 t4208 = t3083 * t324; in func_pol()
8152 t10734 = t3083 * t648; in func_pol()
8261 t10942 = t3083 * t652; in func_pol()
8438 t11716 = t3083 * t812; in func_pol()
8545 t11924 = t3083 * t3812; in func_pol()
9862 t14989 = t3083 * t945; in func_pol()
9977 t15246 = t3083 * t949; in func_pol()
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| H A D | gga_c_op_pw91.c | 853 double t3078, t3080, t3081, t3082, t3083, t3086, t3087, t3090; in func_pol() local
2430 t3083 = t3081 * t3082; in func_pol()
2442 …t3129 = -0.33406071314720832000e2 * t3072 * t3075 - 0.26724857051776665600e2 * t3078 * t3083 + 0.1… in func_pol()
2448 …t3083 + 0.46787446921113792000e2 * t3072 * t3087 + 0.14036234076334137600e3 * t749 * t3090 + 0.842… in func_pol()
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| H A D | gga_x_ityh.c | 2562 double t3054, t3056, t3060, t3083, t3085, t3086, t3098, t3103; in func_pol() local
4123 t3083 = t63 * t550; in func_pol()
4124 …t1081 * t63 - 0.2e1 / 0.9e1 * t219 * t169 * t32 * t399 * t63 - t418 * t676 / 0.2e1 - t1042 * t3083; in func_pol()
5202 …* t1130 * t1081 * t3046 - 0.6e1 * t1129 * t3060 * t8004 - 0.3e1 * t2889 * t3083 - 0.3e1 / 0.2e1 * … in func_pol()
5520 … 0.9e1 * t219 * t565 * t32 * t1397 * t63 - t1483 * t676 / 0.2e1 - t3795 * t3083 - t1483 * t674 / 0… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn_4.c | 873 double t3073, t3075, t3081, t3083, t3084, t3089, t3090, t3091; in func_pol() local
2129 t3083 = t1437 * t220; in func_pol()
2130 t3084 = t3083 / 0.8e1; in func_pol()
2189 … 0.12e2 - t3081 / 0.12e2 - t1611 * t220 / 0.12e2 - t730 * t558 / 0.24e2 - t3083 / 0.6e1 - 0.8e1 * … in func_pol()
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| H A D | lda_xc_bn05.c | 909 double t3068, t3072, t3074, t3078, t3080, t3083, t3085, t3087; in func_pol() local
2479 t3083 = t48 * t2360 * t496; in func_pol()
2488 …e2 / 0.81e2 * t3074 + t3078 - 0.5e1 / 0.81e2 * t3080 + 0.10e2 / 0.243e3 * t3083 + t2359 + t3085 * … in func_pol()
2757 …t3882 = t3078 - 0.10e2 / 0.81e2 * t3080 + 0.20e2 / 0.243e3 * t3083 + t2359 + t48 * t306 * t3857 / … in func_pol()
2944 …0.81e2 * t3851 - 0.4e1 / 0.27e2 * t3777 - 0.5e1 / 0.27e2 * t3080 + 0.10e2 / 0.81e2 * t3083 + t2359; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_k_pc07.c | 166 double t3043, t3071, t3073, t3074, t3077, t3079, t3080, t3083; in func_unpol() local
1633 t3083 = t1849 * t2173 * t192; in func_unpol()
4090 double t3083, t3098, t3106, t3109, t3116, t3121, t3124, t3129; in func_ferr() local
5557 t3187 = t133 * t3083; in func_ferr()
5558 t3200 = -t3083; in func_ferr()
7016 t11239 = t309 * t3083; in func_ferr()
7038 t11426 = t318 * t3083; in func_ferr()
7650 t16225 = t439 * t3083; in func_ferr()
7671 t16529 = t74 * t3083; in func_ferr()
8044 double t3074, t3083, t3088, t3113, t3120, t3123, t3126, t3127; in func_pol() local
[all …]
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| H A D | mgga_x_br89_explicit.c | 17675 t3083 = t97 * t3082; in func_pol()
17676 t3085 = 0.48819729585384108766e0 * t3083 * t175; in func_pol()
22192 t11443 = t3083 * t1656; in func_pol()
22196 t11447 = t3083 * t398; in func_pol()
22239 t11506 = t3083 * t393; in func_pol()
24194 t15291 = 0.19527891834153643507e1 * t3083 * t531; in func_pol()
24195 t15293 = 0.32546486390256072510e0 * t3083 * t2861; in func_pol()
24278 t15525 = 0.97639459170768217532e0 * t3083 * t528; in func_pol()
24696 t16462 = 0.16273243195128036255e0 * t3083 * t3511; in func_pol()
24702 t16472 = 0.97639459170768217532e0 * t3083 * t649; in func_pol()
[all …]
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| H A D | mgga_x_br89.c | 16699 t3083 = t268 * t3082; in func_ferr()
22872 t31803 = t3083 * t3494; in func_ferr()
26433 t51358 = t3083 * t6584; in func_ferr()
35456 t3083 = t43 * t3082; in func_pol()
35457 t3084 = t539 * t3083; in func_pol()
35928 t3723 = t3090 * t3083; in func_pol()
36830 t5025 = t156 * t3083; in func_pol()
37054 t5256 = t2994 * t3083; in func_pol()
37073 t5275 = t562 * t3083; in func_pol()
41428 t10907 = t2935 * t3083; in func_pol()
[all …]
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| H A D | mgga_x_scanl.c | 178 double t3079, t3082, t3083, t3085, t3086, t3089, t3092, t3095; in func_unpol() local
1869 t3083 = my_piecewise3(t95, 0, t3082); in func_unpol()
1870 …t3085 = -0.2e1 * t1069 * t269 - t2844 * t113 - 0.2e1 * t242 * t1139 - t94 * t3083 - t448 * t688 - … in func_unpol()
3314 …113 + 0.3e1 * t609 * t1139 + t1845 * t467 + t448 * t2032 + 0.3e1 * t242 * t3083 + 0.3e1 * t2844 * … in func_unpol()
5535 double t3062, t3081, t3083, t3086, t3087, t3090, t3093, t3096; in func_ferr() local
7228 t3083 = t1135 * t280; in func_ferr()
10925 double t3080, t3083, t3084, t3085, t3090, t3096, t3099, t3101; in func_pol() local
13768 t3084 = t3083 * t145; in func_pol()
17277 t11941 = t3083 * t728; in func_pol()
20653 …t29313 = (t29239 + t29290) * t145 + 0.2e1 * t9240 * t447 * t145 + t3083 * t1247 * t145 + t3083 * t… in func_pol()
[all …]
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| H A D | mgga_x_mbrxh_bg.c | 16190 t3083 = t3023 * t90; in func_pol()
16191 t3084 = t3079 * t3083; in func_pol()
20064 t7832 = t3083 * t7818; in func_pol()
23825 t16621 = t15754 * t3083; in func_pol()
25250 t21420 = t3083 * t21211; in func_pol()
25253 t21433 = t3083 * t21197; in func_pol()
27613 t32492 = t3083 * t4618; in func_pol()
27633 t32594 = t3083 * t32297; in func_pol()
27640 t32615 = t3083 * t32474; in func_pol()
29071 t39278 = t3083 * t92; in func_pol()
[all …]
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| H A D | mgga_x_rtpss.c | 3033 double t3049, t3053, t3057, t3059, t3063, t3082, t3083, t3086; in func_pol() local
4805 t3083 = t3082 * t287; in func_pol()
4808 …1 * t609 * t1996 - 0.3e1 / 0.8e1 * t756 * t1340 + 0.9e1 / 0.8e1 * t2618 * t3083 - 0.3e1 / 0.4e1 * … in func_pol()
5136 t3799 = t488 * t3083; in func_pol()
5331 …t4162 = 0.5e1 / 0.4e1 * t1642 + 0.9e1 / 0.8e1 * t3792 * t3083 - 0.3e1 / 0.4e1 * t609 * t3086 + 0.9… in func_pol()
6407 …609 * t5153 + 0.27e2 / 0.16e2 * t3792 * t5157 + 0.27e2 / 0.16e2 * t6853 * t3083 + 0.27e2 / 0.8e1 *… in func_pol()
6762 … t3792 * t6857 + 0.9e1 / 0.16e2 * t3792 * t6860 + 0.3e1 / 0.8e1 * t1130 * t3083 - 0.9e1 / 0.64e2 *… in func_pol()
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| H A D | mgga_x_gx.c | 2448 double t3079, t3083, t3085, t3087, t3088, t3091, t3093, t3095; in func_pol() local
4363 t3083 = t1960 * t1062; in func_pol()
4373 …e2 / 0.5184e4 * t3079 - 0.5e1 / 0.9e1 * t2501 * t335 - 0.25e2 / 0.324e3 * t3083 - 0.125e3 / 0.7776… in func_pol()
5886 …0.972e3 * t3079 + 0.125e3 / 0.486e3 * t5524 * t2698 - 0.250e3 / 0.243e3 * t3083 + 0.25e2 / 0.81e2 … in func_pol()
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