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Searched refs:t3112 (Results 1 – 25 of 69) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_vwn_4.c876 double t3111, t3112, t3115, t3122, t3123, t3127, t3128, t3130; in func_pol() local
2151 t3112 = t291 * t1381; in func_pol()
2152 … + t3099 - t3101 + t3103 - t3105 + t3107 - t3108 + t3109 - t3111 + 0.24e2 * t3112 - 0.36e2 * t2864; in func_pol()
2197 …0.64e2 * t3104 - 0.24e2 * t3106 - 0.8e1 * t2862 + 0.96e2 * t3110 - 0.48e2 * t3112 - 0.24e2 * t2864; in func_pol()
2221 … + t3050 - t3051 - t2389) * t77 / 0.24e2 - t3501 / 0.8e1 + t3111 + 0.72e2 * t3112 - 0.12e2 * t2864; in func_pol()
2241 …t3104 + 0.144e3 * t3106 + t2861 - t3492 / 0.6e1 - t3501 / 0.2e1 - 0.576e3 * t3110 - 0.96e2 * t3112; in func_pol()
H A Dlda_c_vwn.c876 double t3111, t3112, t3115, t3122, t3123, t3127, t3128, t3130; in func_pol() local
2151 t3112 = t291 * t1389; in func_pol()
2152 … + t3099 - t3101 + t3103 - t3105 + t3107 - t3108 + t3109 - t3111 + 0.24e2 * t3112 - 0.36e2 * t2881; in func_pol()
2199 …0.64e2 * t3104 - 0.24e2 * t3106 - 0.8e1 * t2879 + 0.96e2 * t3110 - 0.48e2 * t3112 - 0.24e2 * t2881; in func_pol()
2221 … + t3056 - t3057 - t2406) * t77 / 0.24e2 - t3503 / 0.8e1 + t3111 + 0.72e2 * t3112 - 0.12e2 * t2881; in func_pol()
2242 …* t3106 + t2878 - t3488 / 0.2e1 - t3494 / 0.6e1 - t3503 / 0.2e1 - 0.576e3 * t3110 - 0.96e2 * t3112; in func_pol()
H A Dlda_c_pk09.c4420 t3112 = t67 * t125 * t46 * t71; in func_pol()
4421 t3113 = 0.10056629776875342578e-1 * t3112; in func_pol()
4531 t3398 = 0.14222222222222222222e0 * t3112; in func_pol()
4574 t3529 = 0.26398473553417813289e1 * t3112; in func_pol()
4589 t3596 = 0.18253764301252687067e0 * t3112; in func_pol()
4596 t3631 = 0.4e1 / 0.9e1 * t3112; in func_pol()
4670 t3838 = 0.27704325027877269244e0 * t3112; in func_pol()
4678 t3868 = 0.34722222222222222223e0 * t3112; in func_pol()
4766 t4168 = 0.33961131963353213333e-1 * t3112; in func_pol()
4872 t4563 = 0.11239240871866200400e0 * t3112; in func_pol()
[all …]
H A Dlda_x_erf.c521 double t3109, t3110, t3112, t3114, t3118, t3122, t3126, t3130; in func_pol() local
1863 t3112 = t174 * t661 * t1215; in func_pol()
1870 … t3103 + t1354 + t3106 + 0.2e1 * t3107 + t3110 + t3095 - 0.4e1 / 0.81e2 * t3112 + 0.40e2 / 0.243e3… in func_pol()
1982 …t3488 = t3436 + 0.3e1 * t3438 + t3441 - 0.4e1 / 0.27e2 * t3112 + t1354 + 0.10e2 / 0.81e2 * t2014 -… in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_ak13.c812 double t3108, t3112, t3132, t3136, t3142, t3146, t3157, t3169; in func_pol() local
2003 t3112 = t293 * t1241; in func_pol()
2004 … * t3108 * t169 + 0.35e2 / 0.2592e4 * t3112 * t1045 + 0.35e2 / 0.1728e4 * t3112 * t1049 + 0.35e2 /… in func_pol()
H A Dgga_x_lcgau.c1123 double t3112, t3147, t3151, t3160, t3184, t3193, t3195, t3203; in func_pol() local
1954 t3112 = t3111 * t141; in func_pol()
1955 …t3112 - t2444 * t2445 * t2944 / 0.3e1 + t476 * t477 * t2952 / 0.12e2 - t877 * t2312 * t3112 + t877… in func_pol()
H A Dgga_k_pw86.c580 double t2980, t3049, t3075, t3079, t3081, t3082, t3096, t3112; in func_pol() local
1713 t3112 = 0.17822885858826970813e-6 * t963 * t1153; in func_pol()
1715 …179 * t383 * t395 * t439 - 0.7e1 / 0.125e3 * t179 * t383 * t188 * t1092 + t3112 + 0.17822885858826… in func_pol()
1749 …9 * t3082 * t1145 * t139 - t3096 - 0.7e1 / 0.75e2 * t907 * t908 * t1113 + t3112 + 0.17822885858826… in func_pol()
H A Dgga_x_vmt84.c920 double t3065, t3067, t3070, t3085, t3112, t3119, t3159, t3171; in func_pol() local
2056 t3112 = t355 * t918; in func_pol()
2057 …39 * t48 * t909 * t588 + 0.89e2 / 0.23328e5 * t354 * t3112 * t974 + 0.89e2 / 0.7776e4 * t365 * t31… in func_pol()
2059 … 0.73e2 / 0.69984e5 * t945 * t950 * t1451 - 0.1121e4 / 0.23328e5 * t397 * t3112 * t58 - t2041 * t2… in func_pol()
H A Dgga_x_pw91.c1034 double t3109, t3112, t3115, t3119, t3136, t3144, t3148, t3153; in func_pol() local
2279 t3112 = t7 * t441 * t647; in func_pol()
2283 …v4rho3sigma[2] = -0.2e1 / 0.3e1 * t3109 - 0.2e1 / 0.3e1 * t3112 - 0.2e1 * t3115 + t3119 + t262 * t… in func_pol()
2307 …v4rho3sigma[5] = -0.2e1 / 0.9e1 * t3109 - 0.4e1 / 0.9e1 * t3112 - 0.2e1 / 0.3e1 * t3115 + t3119 - … in func_pol()
2322 …v4rho3sigma[8] = -0.4e1 / 0.9e1 * t3178 - t3181 + 0.4e1 / 0.3e1 * t3182 - 0.2e1 / 0.9e1 * t3112 + … in func_pol()
H A Dgga_c_cs1.c754 double t3094, t3097, t3099, t3104, t3112, t3114, t3119, t3127; in func_pol() local
2279 …t3112 = t231 * t12 * (0.659653632e-6 * t1265 - 0.19789608960000000000e-7 * t3039 + 0.1741485588480… in func_pol()
2281 v4rhosigma3[3] = t3099 + t517 * t1428 / 0.4e1 + t3104 + t3112; in func_pol()
2315 v4rhosigma3[13] = t3099 + t541 * t1428 / 0.4e1 + t3104 + t3112; in func_pol()
H A Dgga_c_op_g96.c753 double t3112, t3113, t3114, t3117, t3118, t3119, t3120, t3125; in func_pol() local
2472 t3112 = t322 * t3111; in func_pol()
2481 … - 0.24305794268721276020e-3 * t155 * t3107 - 0.23022164698263710038e-7 * t3112 * t3114 + 0.788509… in func_pol()
4159 …94094791130114e-7 * t11412 * t11413 * t2780 + 0.23022164698263710038e-7 * t3112 * t11417 * t2832 +… in func_pol()
4170 …t10003 + 0.56772658145918308952e-4 * t10109 + 0.38370274497106183397e-7 * t3112 * t3113 * t487 + 0… in func_pol()
4398 …25457045776603440e-5 * t1223 * t3085 * t750 + 0.46044329396527420076e-7 * t3112 * t11417 * t3201 -… in func_pol()
4843 … t14741 - t14747 - t14756 + t14761 + t14763 - 0.57555411745659275095e-8 * t3112 * t3113 * t714 + 0… in func_pol()
4846 …t3112 * t3113 * t717 - 0.39425457045776603440e-6 * t3119 * t612 * t717 - t14835 + 0.43750429683698… in func_pol()
4867 …+ 0.72917382806163828060e-3 * t1919 * t3761 + 0.46044329396527420074e-7 * t3112 * t1983 * t1665 * … in func_pol()
4880 …750429683698296836e-2 * t11504 * t2720 * t3142 + 0.57555411745659275097e-8 * t3112 * t15077 * t170; in func_pol()
H A Dgga_c_q2d.c1779 double t3104, t3106, t3108, t3111, t3112, t3114, t3116, t3118; in func_ferr() local
3172 t3112 = t3111 * t94; in func_ferr()
3181 t3130 = t3082 + t3084 + t3087 + t3112 + t3114 + t3116 - t3118 - t3120 - t3125 - t3127 + t3129; in func_ferr()
3543 …t6817 = t3082 + t3084 + t3087 + t3112 + t3114 + t3116 - t3118 - t3120 - t3125 - t3127 + t3129 + rh… in func_ferr()
3850 double t3102, t3104, t3105, t3106, t3107, t3109, t3110, t3112; in func_pol() local
7705 t3112 = t1394 * t3101; in func_pol()
7720 …* t3107 + 0.46383148380000000000e-3 * t3110 - 0.70742514059479944000e-5 * t3112 + 0.23580838019826… in func_pol()
7728 …* t3107 - 0.98975800560000000000e-3 * t3110 - 0.21057660392187498912e-2 * t3112 + 0.70192201307291… in func_pol()
7731 …* t3102 - 0.50562685500000000000e-1 * t3107 + 0.89917760056824000000e-1 * t3112 - 0.29972586685608… in func_pol()
7806 …0 * t3102 - 0.10112537100000000000e0 * t3107 + 0.17983552011364800000e0 * t3112 - 0.59945173371216… in func_pol()
[all …]
H A Dgga_c_zvpbeint.c1172 double t3077, t3085, t3102, t3103, t3112, t3118, t3124, t3126; in func_ferr() local
2065 t3112 = 0.1e1 / t875; in func_ferr()
2071 …t3112 * t5 * t198 / 0.6144e4 - 0.24e2 * t1331 * t3118 * t1334 * t3032 + 0.24e2 * t3124 * t3126 * t… in func_ferr()
2332 double t3111, t3112, t3113, t3114, t3115, t3117, t3118, t3119; in func_pol() local
5004 t3112 = t308 * t3111; in func_pol()
5014 …t3125 = t2882 - t2884 + 0.2e1 * t3102 + 0.6e1 * t3104 + 0.6e1 * t3108 - t3112 + 0.6e1 * t3115 + t3… in func_pol()
7707 …t3841 - t3842 + 0.6e1 * t3102 + 0.18e2 * t3104 + 0.18e2 * t3108 - 0.3e1 * t3112 + 0.18e2 * t3115 +… in func_pol()
8030 …0.6e1 * t3394 + 0.4e1 * t3102 + 0.12e2 * t3104 + 0.12e2 * t3108 - 0.2e1 * t3112 + 0.12e2 * t3115 +… in func_pol()
8999 t15042 = t1384 * t3112; in func_pol()
H A Dgga_c_scan_e0.c1549 double t3102, t3103, t3104, t3105, t3107, t3108, t3110, t3112; in func_pol() local
3575 t3112 = t94 * t604; in func_pol()
3576 t3113 = t3112 * t1048; in func_pol()
5300 t9254 = t3112 * t3101; in func_pol()
5389 t9457 = t3112 * t258 * t628 * t3048; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_c_vsxc.c5923 t3113 = t1477 * t3112; in func_pol()
5924 t3116 = t73 * t3112; in func_pol()
5925 t3121 = t92 * t3112; in func_pol()
5935 t3142 = t1413 * t3112; in func_pol()
5936 t3145 = t262 * t3112; in func_pol()
5937 t3150 = t275 * t3112; in func_pol()
9511 t9690 = t3614 * t3112; in func_pol()
9551 t9756 = t3681 * t3112; in func_pol()
13815 t33874 = t3112 * t136; in func_pol()
13819 t33896 = t819 * t3112; in func_pol()
[all …]
H A Dmgga_x_pkzb.c1164 double t3052, t3066, t3068, t3081, t3087, t3091, t3112, t3115; in func_pol() local
2994 t3112 = t8 * t121 * t520; in func_pol()
2998 …95350808814894506e0 * t50 * t734 * sigma[0]) - 0.32320800000000000000e0 * t3112 - 0.43094400000000… in func_pol()
3032 …t3282 = -0.32320800000000000000e0 * t3251 * t286 * t227 - 0.21547200000000000000e0 * t3112 - 0.646… in func_pol()
3054 …5 + t3091 + 0.21547200000000000000e0 * t3145 - 0.10773600000000000000e0 * t3112 - 0.14364800000000… in func_pol()
H A Dhyb_mgga_xc_wb97mv.c7702 t3112 = t21 * t59; in func_pol()
7703 t3113 = t3112 * t2587; in func_pol()
8988 t5863 = t3112 * t5731; in func_pol()
10507 t9505 = t3112 * t7952; in func_pol()
10525 t9563 = t3112 * t7961; in func_pol()
10526 t9566 = t3112 * t7957; in func_pol()
11443 t12165 = t3112 * t10627; in func_pol()
11446 t12172 = t3112 * t10631; in func_pol()
11447 t12175 = t3112 * t10643; in func_pol()
11634 t12582 = t3112 * t12528; in func_pol()
[all …]
H A Dmgga_x_revtm.c148 double t3086, t3088, t3089, t3091, t3100, t3101, t3102, t3112; in func_unpol() local
1314 t3112 = t338 * t797; in func_unpol()
1315 t3113 = 0.292e3 / 0.135e3 * t3112; in func_unpol()
2437 double t3077, t3078, t3085, t3086, t3087, t3096, t3097, t3112; in func_ferr() local
3586 t3112 = t368 * t3075; in func_ferr()
3587 t3113 = 0.54e2 * t3112; in func_ferr()
4454 …0.48e2 * t526 * t3192 - 0.216e3 * t6082 * t894 + 0.12e2 * t3096 - 0.108e3 * t3112 + 0.24e2 * t3118; in func_ferr()
4723 double t3091, t3102, t3105, t3109, t3112, t3120, t3127, t3134; in func_pol() local
6521 t3112 = t3109 * t129; in func_pol()
6524 …3 * t446 * t1145 + 0.584e3 / 0.405e3 * t197 * t3109 - 0.146e3 / 0.135e3 * t3112 * t201 - 0.146e3 /… in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c1427 double t3084, t3085, t3086, t3088, t3103, t3106, t3109, t3112; in func_pol() local
3180 t3112 = 0.1e1 / t188 / t1350; in func_pol()
3181 t3115 = t8 * t15 * t3112 * t671; in func_pol()
3182 t3119 = t8 * t104 * t3112 * t688; in func_pol()
H A Dmgga_x_pbe_gx.c2579 double t3103, t3105, t3106, t3108, t3109, t3111, t3112, t3113; in func_pol() local
4576 t3112 = t498 * t147; in func_pol()
4577 t3113 = t3111 * t3112; in func_pol()
4814 t3385 = t3384 * t3112; in func_pol()
4978 … - 0.16793189300411522634e1 * t1214 + 0.42210879422611554372e-1 * t3596 * t3112 + 0.36982944101867… in func_pol()
6186 … * t2324 * t866 * t147 * t1563 - 0.70351465704352590618e-2 * t866 * t43 * t3112 + 0.65954499097830… in func_pol()
H A Dmgga_x_m11.c1565 double t3109, t3112, t3115, t3122, t3129, t3140, t3152, t3157; in func_ferr() local
2445 t3112 = t121 * t3077; in func_ferr()
2448 …t3092 - 0.54e2 * t636 * t3106 - 0.144e3 * t649 * t3109 - 0.300e3 * t658 * t3112 - 0.540e3 * t747 *… in func_ferr()
2452 …t3112 - 0.120e3 * t107 * t3115 - 0.1320e4 * t143 * t3152 - 0.1716e4 * t149 * t3157 - 0.36e2 * t264… in func_ferr()
2453 …22 - 0.990e3 * t137 * t3140 - 0.210e3 * t1612 * t3115 - 0.120e3 * t1680 * t3112 - 0.1728e4 * t307 … in func_ferr()
2454 …t3112 - 0.882e3 * t888 * t3087 - 0.1344e4 * t896 * t3092 - 0.1944e4 * t844 * t3097 - 0.54e2 * t907… in func_ferr()
2456 …t3112 - 0.120e3 * t170 * t3115 - 0.210e3 * t173 * t3087 - 0.1716e4 * t191 * t3157 - 0.756e3 * t370… in func_ferr()
H A Dmgga_x_edmgga.c127 double t3078, t3085, t3092, t3105, t3112, t3155, t3167, t3171; in func_unpol() local
1085 t3112 = t62 * t1021; in func_unpol()
1087 …86874188679892e1 * t321 * t871 * t396 - 0.10622921833547194700e0 * t316 * t3112 * t95 - 0.10622921… in func_unpol()
1175 …624729559964e1 * t321 * t495 * t1021 - 0.35409739445157315668e-1 * t316 * t3112 * t138 - 0.7081947… in func_unpol()
1228 …t4431 = -0.35409739445157315668e-1 * t316 * t3112 * t162 - 0.70819478890314631336e-1 * t316 * t105… in func_unpol()
3439 double t3105, t3106, t3108, t3109, t3112, t3115, t3119, t3121; in func_pol() local
5151 t3112 = t2206 * t1134; in func_pol()
5186 v3rhosigmalapl[0] = -t3112 / 0.2e1 - t262 * t3115 / 0.2e1 - 0.3e1 / 0.8e1 * t262 * t3222; in func_pol()
5207 v3rhosigmalapl[6] = -t262 * t3231 / 0.2e1 - t3112 / 0.2e1; in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90258 t3093,t3098,t3110,t3112,t3117,t3119,t3125,t3131,t3138,t3140,t3145,t3158,& local
1702 … t3112 = .CONVERT."0.108552808889244720000E21" * t151 + .CONVERT."0.108552808889244720000E21" &
1822 + t3025 + t3112 + t3218 + t3185 + t3329 + t2979 + t3145 + t3038 &
/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90258 t3093,t3098,t3110,t3112,t3117,t3119,t3125,t3131,t3138,t3140,t3145,t3158,& local
1702 … t3112 = .CONVERT."0.108552808889244720000E21" * t151 + .CONVERT."0.108552808889244720000E21" &
1822 + t3025 + t3112 + t3218 + t3185 + t3329 + t2979 + t3145 + t3038 &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_tb09.c148 double t3112, t3119, t3123, t3124, t3125, t3126, t3129, t3131; in func_unpol() local
1273 t3112 = t1908 * t2649; in func_unpol()
1284 …/ 0.9e1 * t3103 * t3107 - 0.4e1 / 0.3e1 * t1909 * t2656 - 0.4e1 / 0.3e1 * t3112 * t2661 + 0.4e1 / … in func_unpol()
1388 …962 * t186 + 0.4e1 * t549 * t557 - 0.4e1 * t1230 * t940 - 0.4e1 / 0.3e1 * t3112 * t3697 + 0.2e1 / … in func_unpol()
1852 …/ 0.3e1 * t1898 * t5663 - 0.4e1 / 0.3e1 * t1909 * t5666 - 0.4e1 / 0.3e1 * t3112 * t5670 + 0.4e1 / … in func_unpol()
2181 double t3103, t3109, t3112, t3114, t3116, t3121, t3124, t3127; in func_ferr() local
3302 …t3112 = 0.4e1 / 0.3e1 * t1863 * t3052 - 0.10e2 / 0.9e1 * t3057 * t3060 - 0.4e1 / 0.3e1 * t1859 * t… in func_ferr()
3349 …v4rho2sigmalapl[0] = (t2925 + t2959 + t2988 + t3023 + t3050 + t3112 + t3154 + t3282) * t4 + t796 *… in func_ferr()

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