| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_op_pw91.c | 852 double t3062, t3065, t3068, t3069, t3072, t3073, t3074, t3075; in func_pol() local
2422 t3072 = t1026 * t1077; in func_pol()
2762 …t3072 * t3874 + 0.46787446921113792000e2 * t3072 * t3878 + 0.14036234076334137600e3 * t749 * t3881… in func_pol()
3971 …9360e3 * t757 * t10848 + 0.26724857051776665600e3 * t3072 * t10851 - 0.13362428525888332800e3 * t3… in func_pol()
4008 …t3072 * t11005 + 0.13362428525888332800e3 * t3078 * t10958 + 0.84217404458004825600e2 * t757 * t10… in func_pol()
4009 …t3072 * t10933 + 0.35633142735702220800e2 * t3078 * t10978 - 0.17816571367851110400e2 * t3078 * t1… in func_pol()
4492 …t3072 * t14477 - 0.56144936305336550400e2 * t757 * t14490 - 0.14036234076334137600e3 * t3100 * t14… in func_pol()
4518 …t3072 * t14562 + 0.47700390127680000000e1 * t769 * t14536 + 0.12720104034048000000e2 * t3078 * t14… in func_pol()
4618 …t3072 * t15458 + 0.70181170381670688000e2 * t3072 * t15463 + 0.70181170381670688000e2 * t3072 * t1… in func_pol()
4959 …t3072 * t18047 - 0.42108702229002412800e3 * t3072 * t18051 + 0.70181170381670688000e2 * t3072 * t1… in func_pol()
[all …]
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| H A D | gga_x_wc.c | 758 double t3062, t3067, t3071, t3072, t3075, t3080, t3090, t3099; in func_pol() local
1938 t3072 = t3071 * t565; in func_pol()
1947 …32320800000000000000e0 * t3037 * t382 * t224 - 0.10773600000000000000e0 * t3072 - t3075 - 0.323208… in func_pol()
1959 …0000000000e0 * t190 * t475 * t321 * t423 * t223 * t1003 + t2977 - 0.21547200000000000000e0 * t3072; in func_pol()
1977 …4 + 0.51713280000000000000e1 * t3192 + t2977 - 0.32320800000000000000e0 * t3072 - 0.96962400000000… in func_pol()
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| H A D | gga_c_p86.c | 972 double t3069, t3071, t3072, t3073, t3074, t3079, t3080, t3082; in func_pol() local
2455 t3072 = 0.85355366250000000000e-2 * t2992; in func_pol()
2457 …8 + t3065 + t3066 - t2975 - t3067 - 0.3e1 * t2981 - t3069 + 0.14e2 * t2987 - t3071 + t3072 - t3073; in func_pol()
2556 …1 * t2968 + t3065 + t3066 - t3067 - t2981 - t3069 + 0.28e2 / 0.3e1 * t2987 - t3071 + t3072 - t3073; in func_pol()
2597 …54 + t3055 + t3176 - t3060 + t3061 + t3065 + t3066 - t3067 - t3069 + t3181 - t3071 + t3072 - t3073; in func_pol()
2624 …t3434 = t3055 - t3060 + t3061 + t3065 + t3066 - t3067 - t3069 - t3071 + t3072 - 0.1829043562500000… in func_pol()
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| H A D | gga_xc_th2.c | 505 double t3069, t3071, t3072, t3074, t3078, t3080, t3085, t3107; in func_pol() local
1630 t3072 = t491 * t491; in func_pol()
1631 t3074 = t84 * t3071 * t3072; in func_pol()
1638 …* t1261 - 0.64e2 / 0.9e1 * t226 * t1265 + 0.40e2 / 0.81e2 * t42 * t3126 * t3072 - 0.16e2 / 0.9e1 *… in func_pol()
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| H A D | gga_x_pw91.c | 1033 double t3021, t3037, t3055, t3058, t3061, t3072, t3095, t3103; in func_pol() local
2269 t3072 = t1364 * t159; in func_pol()
2271 …78 + 0.24e2 * t1894 * t290 * t936 - 0.18e2 * t935 * t625 * t427 - 0.3e1 * t3072 * t181 - 0.3e1 * t… in func_pol()
2350 …04 + 0.4e1 * t403 * t3495 - 0.2e1 * t3498 * t181 - t1581 * t427 - 0.2e1 * t3072 * t290 - 0.6e1 * t… in func_pol()
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| H A D | gga_c_wl.c | 500 double t3063, t3064, t3068, t3069, t3070, t3071, t3072, t3073; in func_pol() local
1984 t3072 = 0.50008333333333333333e-2 * t3071; in func_pol()
2002 …2500000000000000000e0 * t126 * t94 * t22 * t567 + t3115 + t3076 + t3079 - t3072 + t3074 - t3068 - … in func_pol()
2024 …t3244 = -t3070 - t3072 + t3074 + t3076 + t3079 - 0.14000000000000000000e1 * t3242 + t2945 + t2947 … in func_pol()
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| H A D | gga_c_sogga11.c | 5374 t3072 = t1013 * t3071; in func_pol()
5375 t3073 = t381 * t3072; in func_pol()
5445 t3178 = t390 * t3072; in func_pol()
5534 t3317 = t384 * t3072; in func_pol()
5649 t3491 = t387 * t3072; in func_pol()
7634 t9758 = t1069 * t3072; in func_pol()
7643 t9780 = t1072 * t3072; in func_pol()
7705 t9886 = t1084 * t3072; in func_pol()
7710 t9896 = t1125 * t3072; in func_pol()
8089 t10612 = t1063 * t3072; in func_pol()
[all …]
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| H A D | gga_c_regtpss.c | 1011 t3072 = t603 * t711; in func_unpol()
1012 t3073 = t3072 * t157; in func_unpol()
4859 t3072 = t335 * t131; in func_pol()
4861 t3074 = t3072 * t3073; in func_pol()
7072 t8807 = t806 * t3072 * t2787 * t698; in func_pol()
7076 t8817 = t806 * t3072 * t8814 * t258; in func_pol()
7105 t8933 = t806 * t3072 * t8930 * t635; in func_pol()
7502 t10393 = t806 * t3072 * t10390 * t258; in func_pol()
7616 t10875 = t806 * t3072 * t10816 * t258; in func_pol()
7619 t10883 = t806 * t3072 * t2787 * t992; in func_pol()
[all …]
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| H A D | gga_c_gaploc.c | 3195 double t3057, t3060, t3061, t3065, t3068, t3072, t3079, t3080; in func_ferr() local
4714 t3072 = t319 * t1881 * t95; in func_ferr()
5774 …* t3053 * t829 * t8139 - 0.12304841968227558854e0 * t3072 * t3694 + 0.20508069947045931424e-1 * t3… in func_ferr()
5816 …1996e0 * t3072 * t3726 - 0.12304841968227558854e0 * t3072 * t3723 + 0.24609683936455117708e0 * t30… in func_ferr()
5912 …-1 * t3072 * t4231 - 0.11535789345213336425e0 * t1154 * t4390 * t332 - 0.92286314761706691404e-1 *… in func_ferr()
6216 double t3064, t3067, t3068, t3069, t3070, t3071, t3072, t3073; in func_pol() local
9740 t3072 = 0.1e1 / t3071; in func_pol()
9741 t3073 = t106 * t3072; in func_pol()
10561 t4787 = t3072 * t101 * t1582; in func_pol()
14065 t12559 = t3072 * M_PI; in func_pol()
[all …]
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| H A D | gga_x_ncap.c | 128 double t2969, t2995, t2998, t3003, t3011, t3032, t3037, t3072; in func_unpol() local
985 …t3072 = 0.7e1 / 0.9e1 * t478 * t285 - 0.4e1 / 0.27e2 * t3011 * t17 * t8 * t86 - 0.18e2 * t1128 * t… in func_unpol()
986 …927 / 0.81e2 + 0.8e1 / 0.27e2 * t526 * t3003 * t66 * t1792 - t92 * t116 * t3072 + t92 * params->al… in func_unpol()
2269 double t3071, t3072, t3076, t3077, t3082, t3083, t3089, t3091; in func_pol() local
3783 t3072 = t3071 * t27; in func_pol()
3784 …5 * t38 / 0.32e2 - t149 * t3060 * t154 / 0.64e2 + t3066 * t3068 / 0.2304e4 + t41 * t3072 / 0.32e2); in func_pol()
4730 t8602 = t114 * t3072; in func_pol()
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| H A D | gga_x_sfat_pbe.c | 3316 double t3059, t3072, t3073, t3076, t3077, t3082, t3094, t3100; in func_pol() local
5095 t3072 = t2970 * t2869; in func_pol()
5096 t3073 = t3072 * t2852; in func_pol()
5566 t4150 = t3072 * t4087; in func_pol()
5965 t5154 = t3072 * t4076; in func_pol()
5968 t5163 = t3072 * t5149; in func_pol()
6208 t5718 = t3072 * t402; in func_pol()
6211 t5725 = t3072 * t1137; in func_pol()
7725 …7728878e-3 * t5717 * t4153 * t13488 - 0.28571216813215150586e-2 * t5724 * t3072 * t8615 - 0.637087… in func_pol()
7726 …18788734e-2 * t5724 * t4153 * t8615 - 0.53571031524778407348e-3 * t5717 * t3072 * t13488 - 0.83704… in func_pol()
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| H A D | gga_c_revtca.c | 1283 double t3059, t3060, t3066, t3068, t3072, t3073, t3076, t3077; in func_pol() local
3558 t3072 = 0.33163382207374099198e0 * t1004 * t496 * t357 * t3066; in func_pol()
3559 … * t3044 - t3050 + t3054 + 0.8e1 * t953 * t159 + 0.57802381962225252260e-1 * t3060 + t3068 - t3072; in func_pol()
3786 …751 - t3756 + t3760 - t3764 + 0.28901190981112626130e-1 * t3060 + t3068 - t3072 - 0.96337303270375… in func_pol()
3897 …14477240714262350e0 * t3763 + 0.96337303270375420428e-2 * t3060 + t3068 - t3072 - 0.64224868846916… in func_pol()
3969 …t4727 = -t3072 - 0.32112434423458473474e-2 * t3077 + t3089 + t3096 + 0.75175095611407122084e-2 * t… in func_pol()
3996 …5735014180959998e-1 * t3722 - 0.12844973769383389388e-1 * t3724 + t3068 - t3072 + t3089 + t3096 - … in func_pol()
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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
2487 t3072 = t384 * t1068; in func_pol()
2488 t3074 = t7 * t651 * t3072; in func_pol()
3171 t6483 = t7 * t2090 * t3072; in func_pol()
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| H A D | gga_x_bpccac.c | 1465 double t3054, t3059, t3061, t3063, t3065, t3067, t3072, t3085; in func_pol() local
2840 …t3072 = -0.2e1 * t7 * t146 * t1291 * t151 - 0.2e1 * t2998 - 0.2e1 * t3001 + 0.4e1 / 0.3e1 * t3004 … in func_pol()
2841 …t3085 = t9 * (t2992 + t3072) + 0.4e1 / 0.9e1 * t1051 - 0.2e1 / 0.3e1 * t1055 - 0.2e1 * t1059 + 0.4… in func_pol()
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| H A D | gga_c_op_pbe.c | 809 double t3071, t3072, t3073, t3076, t3079, t3080, t3081, t3084; in func_pol() local
2519 t3072 = t1401 * t3071; in func_pol()
2520 t3073 = t1957 * t3072; in func_pol()
2521 t3076 = t1969 * t3072; 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 | 872 double t3049, t3050, t3051, t3057, t3059, t3061, t3065, t3072; in func_pol() local
2125 t3072 = t650 * t684 * t78; in func_pol()
2126 t3073 = t3072 / 0.8e1; in func_pol()
2189 …t3311 = -t3072 / 0.6e1 - t3075 / 0.12e2 - t3081 / 0.12e2 - t1611 * t220 / 0.12e2 - t730 * t558 / 0… in func_pol()
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| H A D | lda_c_pk09.c | 153 double t3064, t3072, t3074, t3076, t3079, t3081, t3087, t3093; in func_unpol() local
1199 t3072 = t2643 * t263 * t9 * t2648; in func_unpol()
1204 …7610742193750634334e1 * t1224 * t1067 * t293 - 0.16200735425838568400e2 * t3072 - 0.72003268559282… in func_unpol()
1237 …t3370 = -0.14801156898410386600e0 * t2827 + 0.11100867673807789950e0 * t3072 + 0.49337189661367955… in func_unpol()
2452 double t3071, t3072, t3073, t3075, t3077, t3079, t3081, t3084; in func_pol() local
4404 t3072 = 0.6806222787477181560e0 * t3071; in func_pol()
4429 …8 - 0.75624697638635350667e-1 * t3012 - 0.6806222787477181560e0 * t3016 + t3072 + 0.60499758110908… in func_pol()
6107 …3 - 0.90749637166362420800e0 * t2995 - 0.30249879055454140267e0 * t2997 + t3072 + 0.30249879055454… in func_pol()
6731 …t12288 = t2993 + t3072 + 0.905096679918780832e-1 * t12236 - 0.10056629776875342578e-1 * t12240 - 0… in func_pol()
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| H A D | lda_xc_ksdt.c | 2359 double t3056, t3064, t3065, t3066, t3069, t3072, t3075, t3076; in func_pol() local
5590 t3072 = t1505 * t3034; in func_pol()
6053 …t4319 = t187 * t4295 + t1503 - t1516 + 0.3e1 / 0.4e1 * t3046 * t3072 + t1493 * t4300 / 0.2e1 - t30… in func_pol()
8662 …t3072 + 0.3e1 / 0.4e1 * t1504 * t10122 + 0.3e1 / 0.4e1 * t1504 * t10126 - t10131 + t10133 + t10134… in func_pol()
13256 …615 * t1610 / 0.432e3 + t5134 * t25059 * t592 / 0.432e3 - t5134 * t5136 * t3072 / 0.1296e4 - 0.5e1… in func_pol()
13275 t25141 = t5124 * t3072; in func_pol()
13489 …4e1 * t5094 * t3194 + t1493 * t25949 / 0.2e1 + 0.45e2 / 0.32e2 * t16777 * t3072 + 0.3e1 / 0.2e1 * … in func_pol()
16447 …0.4e1 * t3065 * t3819 * t124 - t24610 + t24618 + 0.9e1 / 0.8e1 * t35854 * t3072 - t41352 / 0.4e1 +… in func_pol()
16582 … 0.24e2 - t42219 / 0.216e3 - t34945 * t2909 * t3072 / 0.432e3 - t42226 / 0.576e3 + t34938 * t34939… in func_pol()
17619 …231 / 0.36e2 + 0.2e1 / 0.3e1 * t35912 - t35916 + 0.3e1 / 0.2e1 * t41478 * t3072 + 0.9e1 / 0.4e1 * … in func_pol()
[all …]
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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
2475 t3072 = t2753 * t305; in func_pol()
2476 t3074 = t48 * t3072 * t1375; in func_pol()
3483 t6708 = t48 * t3072 * t87; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_revtm.c | 147 double t3061, t3072, t3073, t3076, t3078, t3081, t3083, t3085; in func_unpol() local
1300 t3072 = 0.1e1 / t409; in func_unpol()
1301 t3073 = t3072 * t194; in func_unpol()
1308 t3088 = t2037 * t3072; in func_unpol()
1330 t3168 = t3072 * t167; in func_unpol()
1951 t8190 = t3072 * t478; in func_unpol()
1966 t8426 = t3072 * t433; in func_unpol()
1976 t8615 = t133 * t3072; in func_unpol()
2436 double t3047, t3048, t3059, t3064, t3067, t3072, t3075, t3076; in func_ferr() local
3576 t3072 = t2417 * t221; in func_ferr()
[all …]
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| H A D | mgga_x_mvsb.c | 1239 double t2991, t3003, t3009, t3067, t3072, t3083, t3088, t3160; in func_ferr() local
2089 t3072 = params->c1 * t79; in func_ferr()
2090 …0.16e2 * t1091 * t3067 + 0.3e1 / 0.8e1 * t1091 * t2004 - 0.3e1 / 0.64e2 * t3072 * t836 - 0.5e1 / 0… in func_ferr()
2101 … * t139 * t1107 - 0.5e1 / 0.8e1 * t139 * t2331 * tau[0] + 0.3e1 / 0.8e1 * t3072 * t976 + 0.5e1 / 0… in func_ferr()
2115 …2e1 * t410 * t1320 - 0.10e2 * t89 * t3327 + 0.9e1 * t89 * t976) - 0.3e1 * t3072 * t1320 - 0.20e2 *… in func_ferr()
2144 …556 - 0.48e2 * t89 * t3560 + 0.60e2 * t1503 - 0.180e3 * t1504) + 0.24e2 * t3072 * t1551 + 0.160e3 … in func_ferr()
2430 double t3067, t3072, t3075, t3079, t3086, t3087, t3094, t3097; in func_pol() local
4411 t3072 = t3016 * t675; in func_pol()
4444 …v3rho2tau[5] = -t3013 - 0.4e1 / 0.3e1 * t3042 - t3050 - t3057 / 0.864e3 - t1002 * t3072 / 0.6e1 - … in func_pol()
6050 t8478 = t2847 * t3072; in func_pol()
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| H A D | mgga_k_pc07.c | 4089 double t3063, t3065, t3070, t3071, t3072, t3076, t3079, t3080; in func_ferr() local
5536 t3072 = t2169 * t3071; in func_ferr()
5540 …2592e4 - 0.15e2 / 0.4e1 * t1534 * t3065 + 0.5e1 / 0.18e2 * t2187 * t710 - t3072 / 0.1728e4 + 0.5e1… in func_ferr()
8043 double t3060, t3063, t3066, t3067, t3068, t3071, t3072, t3073; in func_pol() local
10370 t3072 = t989 * t3071; in func_pol()
11147 …667e1 * t993 * t3697 - 0.522743778e1 * t993 * t3701 + 0.4225599329463e1 * t3072 * t5292 + 0.281706… in func_pol()
12843 …528718856642e2 * t3072 * t10957 - 0.8451198658926e1 * t3066 * t10961 - 0.12676797988389e2 * t993 *… in func_pol()
14007 …743778e1 * t16798 * t1020 + 0.388008e2 * t3653 * t2975 + 0.6272925336e2 * t3072 * t3760 + 0.388008… in func_pol()
15097 …t3072 * t22543 + 0.8451198658926e1 * t2907 * t14797 + 0.4225599329463e1 * t993 * t14757 - 0.169023… in func_pol()
15432 … * t14602 * t24346 - 0.1940040e3 * t391 * t84 * t17897 + 0.6272925336e2 * t3072 * t5236 - 0.32334e… in func_pol()
[all …]
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| H A D | mgga_c_scanl.c | 15347 t3073 = t3072 * t139; in func_pol()
15352 t3090 = t917 * t3072; in func_pol()
15357 t3100 = t636 * t3072; in func_pol()
18329 t9465 = t3072 * t643; in func_pol()
18343 t9515 = t3072 * t631; in func_pol()
18351 t9562 = t1665 * t3072; in func_pol()
18355 t9572 = t1698 * t3072; in func_pol()
18504 t9920 = t3072 * t830; in func_pol()
18630 t10316 = t3072 * t838; in func_pol()
19769 t13190 = t3072 * t140; in func_pol()
[all …]
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| H A D | mgga_x_tau_hcth.c | 1426 double t3055, t3057, t3061, t3067, t3071, t3072, t3074, t3080; in func_pol() local
3170 t3072 = t3071 / 0.9e1; in func_pol()
3184 …t3124 = -0.5e1 / 0.27e2 * t3061 * t679 * t290 * t1413 + t3067 / 0.9e1 + t3072 - 0.5e1 / 0.27e2 * t… in func_pol()
3253 …t3572 = t3328 / 0.3e1 + t3072 + t3085 + t3524 / 0.27e2 - t3527 / 0.6e1 - t3530 / 0.6e1 + t3533 / 0… in func_pol()
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| H A D | mgga_x_ms.c | 2855 double t3059, t3060, t3066, t3072, t3078, t3084, t3093, t3094; in func_pol() local
4824 t3072 = t192 * t1084; in func_pol()
4829 …3 / 0.27e2 * t3066 * t169 - 0.6e1 * t1268 * t1085 * t183 + 0.2e1 * t444 * t3072 + 0.4e1 * t444 * t… in func_pol()
6227 t8548 = t1201 * t3072; in func_pol()
6239 …00000e6 / 0.729e3 * t2873 + 0.4000e4 / 0.243e3 * t2885 - 0.12e2 * t1268 * t3072 * t183 - 0.6e1 * t… in func_pol()
6696 …t10372 = 0.125000e6 / 0.19683e5 * t1289 * t3477 * t192 - 0.6e1 * t1268 * t3072 * t288 - 0.6e1 * t1… in func_pol()
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