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Searched refs:t3244 (Results 1 – 25 of 62) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_c_lm.c872 double t3240, t3241, t3243, t3244, t3246, t3247, t3248, t3249; in func_pol() local
2362 t3244 = 0.8e1 * t3243; in func_pol()
2368 … + t3229 - 0.7e1 / 0.27e2 * t269 * t734 - t3233 - t3235 + t3238 - t3241 - t3244 + t3246 - t3248 - … in func_pol()
2409 … / 0.27e2 * t280 * t746 + t3227 + t3229 - t3233 - t3235 + t3238 - t3241 - t3244 + t3246 - t3248 - … in func_pol()
2493 …96878e0 * t3224 + 0.4e1 / 0.3e1 * t3226 + t3229 - t3469 + t3238 - t3241 - t3244 + t3246 - 0.2e1 * … in func_pol()
2583 …2 - t3209 - t3211 - t3217 + t3223 + t3229 - 0.44e2 / 0.9e1 * t3234 + t3238 - t3241 - t3244 + t3246; in func_pol()
2639 …83 + t3185 - t3194 - t3198 - t3209 - t3211 - t3217 + t3223 + t3229 + t3238 - t3241 - t3244 + t3246; in func_pol()
2653 …83 + t3185 - t3194 - t3198 - t3209 - t3211 - t3217 + t3223 + t3229 + t3238 - t3241 - t3244 + t3246; in func_pol()
H A Dgga_x_bayesian.c844 double t3200, t3206, t3207, t3219, t3234, t3244, t3275, t3282; in func_pol() local
2061 t3244 = t1222 * t1471; in func_pol()
2063 …- t1226 * t324 * t631 * t372 / 0.6e1 + t1236 * t520 * t631 * t8 / 0.2e1 - t3244 / 0.2e1 - t197 * t… in func_pol()
2089 …v4rho2sigma2[17] = -t3206 - 0.4e1 / 0.3e1 * t3234 - t3244 - t197 * t369 * t631 * t406 / 0.6e1 - t1… in func_pol()
H A Dgga_xc_th3.c586 double t3237, t3238, t3239, t3240, t3242, t3243, t3244, t3246; in func_pol() local
1792 t3244 = 0.192e3 * t3243; in func_pol()
1797 …0e2 / 0.27e2 * t3231 + 0.40e2 * t3233 - 0.160e3 * t3235 - t3238 + t3242 - t3244 + t3246 - t3248 + … in func_pol()
2096 …t4630 = t3194 + t3238 + t3242 + t3244 + t3246 + t3248 + t3250 + t3254 + t3256 - 0.56e2 * t3658 - 0… in func_pol()
H A Dgga_x_ityh.c134 double t3150, t3165, t3169, t3173, t3186, t3228, t3238, t3244; in func_unpol() local
1043 t3244 = t972 * t8; in func_unpol()
1044 t3245 = t3244 * t20; in func_unpol()
1243 …* t571 * t5436 - 0.117e3 / 0.4e1 * t722 * t1674 * t5453 - 0.15e2 * t225 * t3244 * t20 * t5266 * t6… in func_unpol()
1375 double t3208, t3229, t3232, t3244, t3267, t3293, t3304, t3307; in func_ferr() local
2193 t3244 = t2264 * t53 * t2263 * t8; in func_ferr()
2194 …- 0.2e1 * t495 * t1257 * t481 - 0.3e1 * t1265 * t1153 - 0.135e3 / 0.2e1 * t3244 * t2812 + 0.27e2 /… in func_ferr()
2241 …1444 - 0.6e1 * t1243 * t1448 + 0.12e2 * t2949 * t3651 - 0.135e3 / 0.2e1 * t3244 * t3695 - 0.27e2 *… in func_ferr()
2318 ….2e1 * t502 * t4519 + 0.945e3 / 0.4e1 * t2409 * t4481 - 0.135e3 / 0.2e1 * t3244 * t4481 - 0.18e2 *… in func_ferr()
2366 ….2e1 * t4563 * t193 + 0.945e3 / 0.4e1 * t2409 * t5065 - 0.135e3 / 0.2e1 * t3244 * t5065 - 0.54e2 *… in func_ferr()
H A Dgga_x_bpccac.c1469 double t3228, t3229, t3233, t3238, t3241, t3244, t3247, t3254; in func_pol() local
2874 t3244 = t7 * t14 * t3241 * t569; in func_pol()
2885 …1 - t7 * t3233 * t152 / 0.2e1 - 0.5e1 / 0.27e2 * t3238 - 0.25e2 / 0.6e1 * t3244 - 0.5e1 / 0.27e2 *… in func_pol()
2909 ….3e1 + 0.4e1 / 0.9e1 * t3227 - 0.10e2 / 0.27e2 * t3238 - 0.41e2 / 0.9e1 * t3244 - 0.10e2 / 0.27e2 … in func_pol()
2945 …t3737 = -0.5e1 / 0.9e1 * t3238 + t3244 / 0.3e1 - 0.5e1 / 0.9e1 * t3247 - t3265 / 0.3e1 + t3269 + t… in func_pol()
H A Dgga_x_hjs.c158 double t3236, t3240, t3244, t3249, t3252, t3261, t3266, t3267; in func_unpol() local
1336 t3244 = t1677 * t1463; in func_unpol()
1339 …t3261 = 0.81e2 / 0.8e1 * t3244 * t465 - 0.27e2 / 0.2e1 * t1061 * t1140 - 0.3e1 / 0.4e1 * t3249 * t… in func_unpol()
1377 …t3379 = 0.81e2 / 0.8e1 * t3244 * t1157 - 0.27e2 / 0.2e1 * t1061 * t3353 + 0.27e2 / 0.4e1 * t1482 *… in func_unpol()
4568 double t3226, t3229, t3237, t3239, t3244, t3245, t3248, t3251; in func_pol() local
7298 …t3244 = 0.12717480330480143498e0 * t30 * t3229 * t398 - 0.32516284935886730535e-2 * t613 * t307 * … in func_pol()
7299 t3245 = t3244 * t411; in func_pol()
7332 …t3340 = 0.47459600000000000000e-1 * t3244 * t390 + 0.94919200000000000000e-1 * t1115 * t1089 + 0.4… in func_pol()
9192 t8447 = t3244 * t832; in func_pol()
9742 t10137 = t3244 * t1127; in func_pol()
[all …]
H A Dgga_c_wl.c505 double t3244, t3249, t3251, t3261, t3263, t3265, t3271, t3273; in func_pol() local
2024 …t3244 = -t3070 - t3072 + t3074 + t3076 + t3079 - 0.14000000000000000000e1 * t3242 + t2945 + t2947 … in func_pol()
2034 v4rho3sigma[8] = t3150 + t3152 + t3158 + t3177 + t3207 + t3240 + t3244 + t3275; in func_pol()
H A Dgga_c_p86.c983 double t3229, t3230, t3231, t3232, t3233, t3237, t3244, t3248; in func_pol() local
2556 …t3244 = t3054 + t3055 - 0.14225894375000000000e-2 * t2952 + 0.12803304937500000000e-1 * t2955 + 0.… in func_pol()
2558 …* t1191 + 0.16258165000000000000e-2 * t1200 + t7 * (t3210 + t3225 + t3237 + t3244) + t3092 - t3248; in func_pol()
H A Dgga_c_op_pbe.c818 double t3244, t3247, t3250, t3251, t3252, t3255, t3256, t3257; in func_pol() local
2599 t3244 = t3218 * t792 * t3235; in func_pol()
2629 …9564958355311564e-7 * t2635 * t3240 + 0.20477826139770465928e-7 * t1551 * t3244 + 0.25000000000000… in func_pol()
4386 …t11951 = -0.10000000000000000000e1 * t1092 * t3205 + 0.20477826139770465928e-7 * t5594 * t3244 - 0… in func_pol()
4407 t12073 = t5583 * t3244; in func_pol()
4615 …129916710623128e-7 * t11009 * t3240 + 0.40955652279540931856e-7 * t6137 * t3244 + 0.12671608462519… in func_pol()
H A Dgga_c_revtca.c1291 double t3237, t3240, t3241, t3242, t3244, t3247, t3249, t3257; in func_pol() local
3622 t3244 = t3240 * t1487 * t3242; in func_pol()
3641 …t3299 = 0.96183163585142819762e0 * t3237 - 0.41697119699127150383e0 * t3244 + 0.288549490755428459… in func_pol()
3797 …0 * t3819 + 0.36133140100516842579e0 * t3823 - 0.31272839774345362787e0 * t3244 + 0.21641211806657… in func_pol()
3914 …1 * t3819 + 0.48177520134022456772e0 * t3823 - 0.20848559849563575192e0 * t3244 + 0.14427474537771… in func_pol()
3974 …1 * t3819 + 0.36133140100516842580e0 * t3823 - 0.10424279924781787596e0 * t3244 + 0.72137372688857… in func_pol()
H A Dgga_x_sogga11.c1482 double t3214, t3216, t3219, t3223, t3233, t3244, t3247, t3250; in func_pol() local
2850 …t3244 = t1330 + t1333 / 0.2e1 - t1337 - t1341 - 0.5e1 / 0.3e1 * t1347 - 0.4e1 / 0.3e1 * t1350 - 0.… in func_pol()
2880 v4rho4[2] = t3233 + t3244 + t3460 + t3475; in func_pol()
H A Dgga_x_sfat.c152 double t3244, t3247, t3298, t3404, t3405, t3410, t3411, t3487; in func_unpol() local
1199 …t3244 = 0.4e1 * t162 * t3113 - 0.16e2 / 0.3e1 * t1294 * t414 - 0.16e2 / 0.9e1 * t1305 * t418 + 0.7… in func_unpol()
1200 …+ t3206) - 0.16e2 * t410 * t1113 + 0.16e2 / 0.3e1 * t407 * t1113 - 0.24e2 * t1310 * t1127 + t3244); in func_unpol()
3104 double t3244, t3251, t3264, t3265, t3271, t3272, t3273, t3276; in func_pol() local
4799 t3244 = t1426 / 0.4e1; in func_pol()
4980 …v3rho2sigma[0] = -t1226 - t3241 - 0.3e1 / 0.4e1 * t1415 - 0.3e1 / 0.4e1 * t1419 - t1423 - t3244 - … in func_pol()
5025 …ma[3] = t3836 * t9 - t1227 - t1416 - t1420 - t1424 - t1431 - t1435 - t1458 - t1462 - t3241 - t3244; in func_pol()
5066 …v3rho2sigma[6] = -t1457 - t3241 - t1461 - t3244 + t9 * (-t3891 - t3892 - t3895 + t3749 - t3899 - t… in func_pol()
H A Dgga_x_sfat_pbe.c3322 double t3237, t3238, t3240, t3241, t3243, t3244, t3246, t3247; in func_pol() local
5147 t3244 = t121 * t3243; in func_pol()
5148 t3246 = t318 * t319 * t3244; in func_pol()
6580 t7678 = t318 * t900 * t3244; in func_pol()
6581 …t894 * t2750 * t2681 - t608 * t176 * t3258 * t181 / 0.6e1 - t894 * t319 * t3244 * t320 / 0.6e1 + t… in func_pol()
6611 …121 * t7862 / 0.2e1 - 0.3e1 * t318 * t2746 * t999 - 0.2e1 * t318 * t952 * t3244 - 0.2e1 / 0.3e1 * … in func_pol()
6750 …t8733 = -0.2e1 / 0.3e1 * t894 * t319 * t3244 * t337 + 0.31532886807677352382e-1 * t2585 * t538 * t… in func_pol()
7153 …e-4 * t10159 + 0.23649665105758014286e-1 * t3910 * t2812 - t318 * t1465 * t3244 / 0.2e1 - 0.3e1 / … in func_pol()
H A Dgga_x_gg99.c1833 double t3244, t3257, t3281, t3282, t3293, t3297, t3298, t3304; in func_ferr() local
2940 t3244 = t1089 / t1091 / t390; in func_ferr()
2941 …2 * t1072 - 0.180e3 * t1140 * t1076 - 0.864e3 * t130 * t1080 - 0.2916e4 * t3244 * t1099 + 0.324e3 … in func_ferr()
3162 … * t1631 + 0.216e3 * t1148 * t1590 + 0.108e3 * t1148 * t1593 - 0.2916e4 * t3244 * t1598 + 0.3888e4… in func_ferr()
3249 …* t2088 + 0.1296e4 * t3232 * t2094 - 0.864e3 * t5492 * t2101 - 0.2916e4 * t3244 * t2117 + 0.3888e4… in func_ferr()
3309 …30 * t2481 + 0.6e1 * t2463 * t155 + 0.1296e4 * t3232 * t2474 - 0.2916e4 * t3244 * t2489 + 0.3888e4… in func_ferr()
3589 double t3233, t3237, t3239, t3240, t3241, t3243, t3244, t3245; in func_pol() local
5922 t3244 = t3243 * t3208; in func_pol()
5923 t3245 = t3244 * t367; in func_pol()
8859 …6 * t4710 - 0.144e3 * t1015 * t1486 * t3233 * t146 - 0.69984e5 * t10463 * t3244 * t1469 + 0.324e3 … in func_pol()
H A Dgga_c_pw91.c1965 double t3239, t3240, t3243, t3244, t3248, t3250, t3251, t3252; in func_pol() local
4462 t3244 = t153 * t3243; in func_pol()
4482 …866451862235947318e-1 * t813 * t3240 + 0.54332259311179736592e-2 * t813 * t3244 - t3248 + t3250 + … in func_pol()
4520 …5268025055555116e-1 * t1301 * t3240 + 0.45342634012527777558e-1 * t1301 * t3244 - 0.56426388993367… in func_pol()
6734 t8732 = t2453 * t3244; in func_pol()
6903 t9350 = t3402 * t3244; in func_pol()
8265 t15381 = t4719 * t3244; in func_pol()
8392 t15681 = t5217 * t3244; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_rlda.c1005 double t3200, t3232, t3236, t3244, t3246, t3250, t3253, t3257; in func_pol() local
3302 t3244 = t366 * t2360 * t1262 * t91; in func_pol()
3305 t3253 = my_piecewise3(t28, -0.5e1 / 0.32e2 * t3244 - 0.25e2 / 0.128e3 * t3250, 0); in func_pol()
3336 t3295 = my_piecewise3(t28, 0.5e1 / 0.4e1 * t3244 + 0.25e2 / 0.16e2 * t3250, 0); in func_pol()
3376 t3329 = my_piecewise3(t28, -0.10e2 * t3244 - 0.25e2 / 0.2e1 * t3250, 0); in func_pol()
3416 t3363 = my_piecewise3(t28, 0.80e2 * t3244 + 0.100e3 * t3250, 0); in func_pol()
H A Dmgga_x_m06l.c2841 double t3241, t3244, t3248, t3255, t3260, t3267, t3268, t3269; in func_pol() local
4395 t3244 = -0.85202382222222222221e-1 * t3241 - 0.60858844444444444446e-1 * t2933; in func_pol()
4405 … t1167 * t534 - 0.3e1 * t570 * t3244 - t536 * t3244 - 0.6e1 * t3248 * t540 - 0.6e1 * t1360 * t1352… in func_pol()
5783 t7335 = t540 * t3244; in func_pol()
5785 …02 * t1346 - 0.12e2 * t1383 * t3244 - 0.3e1 * t570 * t6913 - t536 * t6913 - 0.12e2 * t3248 * t1352… in func_pol()
5890 t7936 = t162 * t3244; in func_pol()
5891 t7943 = t258 * t3244; in func_pol()
5900 …5 * t447 - 0.9e1 * t8014 * t540 - 0.9e1 * t3590 * t1352 - 0.3e1 * t1512 * t3244 - 0.560178e-2 * t6… in func_pol()
6037 t8788 = t171 * t3244; in func_pol()
6096 …t9268) + 0.36e2 * t9273 * t1346 - 0.9e1 * t4311 * t1352 - 0.3e1 * t1917 * t3244 - 0.1120356e-1 * t… in func_pol()
H A Dmgga_x_m08.c117 double t3242, t3244, t3246, t3249, t3252, t3255, t3258, t3261; in func_unpol() local
968 t3244 = 0.1e1 / t21 / t1884; in func_unpol()
969 t3246 = t3242 * t3244 * t10; in func_unpol()
1035 t3458 = t10 * t3244 * t61; in func_unpol()
1277 …4 * t155 * (-0.26748988393840008835e-7 * t3125 * t3244 * t105 * t345 - 0.10256743040498576939e-8 *… in func_unpol()
1459 double t3218, t3235, t3244, t3249, t3252, t3257, t3258, t3263; in func_ferr() local
2307 t3244 = t222 * t1303; in func_ferr()
2310 …+ 0.275000e6 * t291 * t3081 - 0.6160e4 / 0.9e1 * t132 * t3244 - 0.61600e5 / 0.81e2 * t296 * t3244 … in func_ferr()
2355 …160e4 / 0.9e1 * t219 * t3355 - 0.6160e4 / 0.9e1 * t84 * t3244 - 0.61600e5 / 0.81e2 * t226 * t3244 … in func_ferr()
H A Dmgga_c_cs.c775 double t3229, t3231, t3235, t3239, t3241, t3244, t3246, t3248; in func_pol() local
2594 t3244 = 0.30208323200000000000e-2 * t78 * t421 * t1270; in func_pol()
2601 …t3261 = -0.2596704e-1 * t74 * t1271 - t3239 - t3241 - t3244 - 0.35142349322666666666e-3 * t3246 - … in func_pol()
2655 …33333332e-2 * t3229 - 0.14616558293333333333e-2 * t3231 - t3239 - t3241 - t3244 - 0.70284698645333… in func_pol()
H A Dmgga_x_revtm.c4728 double t3217, t3220, t3235, t3236, t3239, t3240, t3243, t3244; in func_pol() local
6567 t3244 = t3243 * t233; in func_pol()
6569 …t3213 - 0.54e2 * t3220 * t829 - 0.324e3 * t767 * t3240 - 0.108e3 * t767 * t3244 - 0.54e2 * t767 * … in func_pol()
6626 …7 + 0.108e3 * t3386 * t1202 + 0.108e3 * t3389 * t1202 + 0.108e3 * t1200 * t3244 + 0.54e2 * t1200 *… in func_pol()
8594 …00e3 * t843 * t1321 * t901 + 0.162e3 * t10003 * t1202 + 0.324e3 * t3389 * t3244 + 0.162e3 * t3389 … in func_pol()
8600 …09 - 0.36e2 * t3383 * t3211 + 0.972e3 * t3386 * t3240 + 0.324e3 * t3386 * t3244 + 0.162e3 * t3386 … in func_pol()
8934 …2 + 0.12e2 * t243 * t12335 + 0.648e3 * t2379 * t12342 - 0.216e3 * t3220 * t3244 - 0.108e3 * t3220 … in func_pol()
8972 …e1 / 0.50e2 * t3504 * t3260 + 0.648e3 * t4611 * t3240 + 0.216e3 * t4611 * t3244 + 0.648e3 * t3386 … in func_pol()
8975 … - 0.1296e4 * t12774 * t3236 - 0.48e2 * t4620 * t3209 + 0.216e3 * t4623 * t3244 + 0.108e3 * t4611 … in func_pol()
9212 …7 + 0.108e3 * t14072 * t1202 - 0.24e2 * t5108 * t3209 + 0.108e3 * t5111 * t3244 - 0.24e2 * t12480 … in func_pol()
[all …]
H A Dmgga_x_mbrxh_bg.c188 double t3244, t3249, t3252, t3264, t3265, t3266, t3268, t3269; in func_unpol() local
2000 t3244 = t3243 * t929; in func_unpol()
2014 …t3244 * t933 + 0.6e1 * t3244 * t936 + 0.3e1 * t570 * t3249 - 0.2e1 * t570 * t3252 + 0.3e1 * t2181 … in func_unpol()
5120 … t3244 * t20548 - 0.3e1 * t566 * t3301 + 0.56e2 / 0.3e1 * t3240 * t3252 + 0.3e1 / 0.2e1 * t563 * t… in func_unpol()
5864 double t3244, t3254, t3257, t3270, t3271, t3272, t3279, t3280; in func_ferr() local
7688 t3244 = t203 * t3243; in func_ferr()
10966 t21066 = t560 * t3244; in func_ferr()
11760 double t3241, t3242, t3244, t3245, t3246, t3248, t3249, t3250; in func_pol() local
16326 t3244 = t3104 * t729 * t228; in func_pol()
16327 t3245 = t249 * t3244; in func_pol()
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F334 t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & local
1719 t3244 = t278*t140
1730 *t446*t2869 + 0.1666666667e0_dp*t1246*t3244*t833 + 0.5000000001e0_dp &
2033 *t165*t450*t1829 + 0.2500000000e0_dp*t1981*t3244 &
2042 *t1246*t3244*t1483
3113 t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & local
4495 t3244 = t278*t140
4506 *t446*t2869 + 0.1666666667e0_dp*t1246*t3244*t833 + 0.5000000001e0_dp &
4809 *t165*t450*t1829 + 0.2500000000e0_dp*t1981*t3244 &
4818 *t1246*t3244*t1483
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F334 t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & local
1719 t3244 = t278*t140
1730 *t446*t2869 + 0.1666666667e0_dp*t1246*t3244*t833 + 0.5000000001e0_dp &
2033 *t165*t450*t1829 + 0.2500000000e0_dp*t1981*t3244 &
2042 *t1246*t3244*t1483
3113 t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, t3268, t327, & local
4495 t3244 = t278*t140
4506 *t446*t2869 + 0.1666666667e0_dp*t1246*t3244*t833 + 0.5000000001e0_dp &
4809 *t165*t450*t1829 + 0.2500000000e0_dp*t1981*t3244 &
4818 *t1246*t3244*t1483
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_pmgb06.c4151 t3244 = t131 * t1468; in func_pol()
4152 t3245 = t3244 * t3231; in func_pol()
5136 t5126 = t3244 * t5125; in func_pol()
5617 t6056 = t3244 * t6055; in func_pol()
6212 t7410 = t3244 * t7409; in func_pol()
6631 t8418 = t30 * t3244 * t8416; in func_pol()
6633 t8423 = t30 * t3244 * t8421; in func_pol()
8333 t12501 = t30 * t3244 * t12499; in func_pol()
9387 t15493 = t30 * t3244 * t15491; in func_pol()
9401 t15525 = t30 * t3244 * t15523; in func_pol()
[all …]
H A Dlda_xc_bn05.c916 double t3224, t3228, t3230, t3244, t3251, t3252, t3256, t3262; in func_pol() local
2533 …t3244 = t2395 - 0.4e1 / 0.81e2 * t2397 - 0.2e1 / 0.81e2 * t2400 + t2403 / 0.27e2 - 0.2e1 / 0.81e2 … in func_pol()
2534 …0.81e2 * t2931 * t3213 - 0.28e2 / 0.243e3 * t1119 * t3217 + 0.2e1 * t84 * t3244 - 0.8e1 / 0.243e3 … in func_pol()
3538 …76 * t1320 + 0.2e1 * t2352 * t484 + 0.6e1 * t2373 * t485 + 0.6e1 * t299 * t3244 + 0.2e1 * t84 * t6… in func_pol()
3878 … t3060 - 0.16e2 / 0.243e3 * t8408 + 0.2e1 * t776 * t1457 + 0.2e1 * t495 * t3244 + 0.224e3 / 0.243e… in func_pol()

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