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Searched refs:v4rho3lapl (Results 1 – 25 of 73) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c278 dim->v4rho4 = dim->v4rho3sigma = dim->v4rho3lapl = dim->v4rho3tau = dim->v4rho2sigma2 = 1; in internal_counters_set_mgga()
316 dim->v4rho3lapl = 4*2; in internal_counters_set_mgga()
572 *v4rho3lapl += pos*dim->v4rho3lapl + offset; in internal_counters_mgga_random()
666 *v4rho3lapl += dim->v4rho3lapl + offset; in internal_counters_mgga_next()
760 *v4rho3lapl -= dim->v4rho3lapl + offset; in internal_counters_mgga_prev()
H A Dmgga.c159 assert(v4rho3lapl != NULL); in xc_mgga()
198 libxc_memset(v4rho3lapl, 0, dim->v4rho3lapl *np*sizeof(double)); in xc_mgga()
411 … double *v4rho4, double *v4rho3sigma, double *v4rho3lapl, double *v4rho3tau, double *v4rho2sigma2, in xc_mgga_lxc() argument
425 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, in xc_mgga_lxc()
H A Dlibxc_master.F90616 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
637 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
764 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
777 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
1318 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, & argument
1338 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
1353 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
1516 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, & argument
1528 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
1537 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
H A Dxc.h103 P_ v4rho4, P_ v4rho3sigma, P_ v4rho3lapl, P_ v4rho3tau, P_ v4rho2sigma2, \
359 … double *v4rho4, double *v4rho3sigma, double *v4rho3lapl, double *v4rho3tau, double *v4rho2sigma2,
H A Dmix_func.c244 v4rho3lapl_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rho3lapl); in xc_mix_func()
402 sum_var(v4rho3lapl); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901211 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
1232 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
1359 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
1372 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
1965 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, & argument
1985 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
2000 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
2163 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, & argument
2175 … v4rho4(*), v4rho3sigma(*), v4rho3lapl(*), v4rho3tau(*), v4rho2sigma2(*), v4rho2sigmalapl(*), & local
2184 v4rho4, v4rho3sigma, v4rho3lapl, v4rho3tau, v4rho2sigma2, v4rho2sigmalapl, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c216 …v4rho3lapl[0] = -0.11157037037037037037e-2 * t103 + 0.11435962962962962964e-2 * t106 - 0.502066666… in func_unpol()
531 …v4rho3lapl[0] = -0.11157037037037037037e-2 * t103 + 0.11435962962962962964e-2 * t106 - 0.502066666… in func_ferr()
1827 v4rho3lapl[0] = t1159 + t1192; in func_pol()
1843 …v4rho3lapl[1] = 0.12551666666666666667e-2 * t1195 + 0.41838888888888888891e-3 * t1199 + 0.18827500… in func_pol()
1861 v4rho3lapl[2] = t1263 + t1292; in func_pol()
1880 v4rho3lapl[3] = t1318 + t1346; in func_pol()
1891 v4rho3lapl[4] = t1366 + t1388; in func_pol()
1906 v4rho3lapl[5] = t1416 + t1444; in func_pol()
1909 …v4rho3lapl[6] = 0.12551666666666666667e-2 * t1360 + 0.41838888888888888891e-3 * t1268 + 0.18827500… in func_pol()
1914 v4rho3lapl[7] = t1477 + t1491; in func_pol()
H A Dmgga_xc_zlp.c247 …v4rho3lapl[0] = -0.27936351851851851851e-2 * t165 + 0.35918166666666666666e-2 * t167 - t170 + 0.26… in func_unpol()
593 …v4rho3lapl[0] = -0.27936351851851851851e-2 * t165 + 0.35918166666666666666e-2 * t167 - t170 + 0.26… in func_ferr()
1935 v4rho3lapl[0] = t1264 + t1301; in func_pol()
1952 …v4rho3lapl[1] = -t1303 + 0.59863611111111111110e-2 * t1304 + 0.35918166666666666666e-1 * t1306 + 0… in func_pol()
1969 v4rho3lapl[2] = t1364 + t1402; in func_pol()
1988 v4rho3lapl[3] = t1423 + t1459; in func_pol()
1997 v4rho3lapl[4] = t1480 + t1500; in func_pol()
2010 v4rho3lapl[5] = t1527 + t1554; in func_pol()
2013 …v4rho3lapl[6] = 0.44897708333333333333e-2 * t129 * t273 * t522 + 0.89795416666666666666e-2 * t1464… in func_pol()
2018 v4rho3lapl[7] = t1584 + t1604; in func_pol()
H A Dmgga_x_gdme.c233 v4rho3lapl[0] = 0.28e2 / 0.243e3 * t150 * t70; in func_unpol()
562 v4rho3lapl[0] = 0.14e2 / 0.243e3 * t152 * params->BB * t67; in func_ferr()
2241 …v4rho3lapl[0] = -0.80e2 / 0.81e2 * t1967 + 0.10e2 / 0.27e2 * t344 * t155 * t349 * t199 - 0.2e1 / 0… in func_pol()
2251 …v4rho3lapl[1] = -0.8e1 / 0.81e2 * t2013 - 0.8e1 / 0.81e2 * t2015 - 0.8e1 / 0.27e2 * t2017 + t2021 … in func_pol()
2265 …v4rho3lapl[2] = -0.2e1 / 0.27e2 * t850 * t157 - 0.80e2 / 0.243e3 * t1967 - 0.8e1 / 0.81e2 * t1981 … in func_pol()
2278 …v4rho3lapl[3] = -0.8e1 / 0.243e3 * t2013 - 0.16e2 / 0.243e3 * t2015 - 0.8e1 / 0.81e2 * t2017 + t20… in func_pol()
2286 …v4rho3lapl[4] = -0.16e2 / 0.243e3 * t2072 - t2077 + t2057 - 0.16e2 / 0.81e2 * t2058 - 0.8e1 / 0.24… in func_pol()
2297 …v4rho3lapl[5] = -0.16e2 / 0.243e3 * t2084 - t2088 + 0.16e2 / 0.81e2 * t2089 - 0.8e1 / 0.243e3 * t2… in func_pol()
2301 …v4rho3lapl[6] = -0.8e1 / 0.81e2 * t2072 - 0.8e1 / 0.81e2 * t2124 - 0.8e1 / 0.27e2 * t2138 + t1986 … in func_pol()
2305 …v4rho3lapl[7] = 0.10e2 / 0.27e2 * t356 * t155 * t370 * t320 - 0.2e1 / 0.27e2 * t356 * t155 * t162 … in func_pol()
H A Dmgga_x_lta.c237 v4rho3lapl[0] = 0.0e0; in func_unpol()
567 v4rho3lapl[0] = 0.0e0; in func_ferr()
2256 v4rho3lapl[0] = 0.0e0; in func_pol()
2259 v4rho3lapl[1] = 0.0e0; in func_pol()
2262 v4rho3lapl[2] = 0.0e0; in func_pol()
2265 v4rho3lapl[3] = 0.0e0; in func_pol()
2268 v4rho3lapl[4] = 0.0e0; in func_pol()
2271 v4rho3lapl[5] = 0.0e0; in func_pol()
2274 v4rho3lapl[6] = 0.0e0; in func_pol()
2277 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_rlda.c316 …v4rho3lapl[0] = t341 * t68 / 0.18e2 - t193 * t123 / 0.4e1 - 0.3e1 / 0.4e1 * t109 * t217 - 0.3e1 / … in func_unpol()
744 …v4rho3lapl[0] = t330 * t59 / 0.9e1 - t184 * t114 / 0.2e1 - 0.3e1 / 0.2e1 * t98 * t207 - 0.3e1 / 0.… in func_ferr()
2516 …v4rho3lapl[0] = -0.2e1 / 0.3e1 * t2317 - 0.2e1 / 0.3e1 * t2320 + t145 * t670 * t151 * t490 / 0.9e1… in func_pol()
2523 …v4rho3lapl[1] = -0.2e1 / 0.3e1 * t2395 - 0.2e1 / 0.3e1 * t2398 - 0.2e1 * t2401 + t2405 + t145 * t6… in func_pol()
2535 …v4rho3lapl[2] = -0.2e1 / 0.9e1 * t2419 - t2423 + t2426 / 0.6e1 - t963 * t178 * t377 * t259 / 0.3e1… in func_pol()
2544 …v4rho3lapl[3] = -0.2e1 / 0.9e1 * t2395 - 0.4e1 / 0.9e1 * t2398 - 0.2e1 / 0.3e1 * t2401 + t2405 - 0… in func_pol()
2549 …v4rho3lapl[4] = -0.4e1 / 0.9e1 * t2419 - t2423 - t2444 - 0.4e1 / 0.3e1 * t2426 - 0.2e1 / 0.9e1 * t… in func_pol()
2556 …v4rho3lapl[5] = -0.4e1 / 0.9e1 * t2464 - t2467 + 0.4e1 / 0.3e1 * t2468 - 0.2e1 / 0.9e1 * t2398 + t… in func_pol()
2559 …v4rho3lapl[6] = -0.2e1 / 0.3e1 * t2419 - 0.2e1 / 0.3e1 * t2499 - 0.2e1 * t2511 + t2353 + t145 * t6… in func_pol()
2571 …v4rho3lapl[7] = t145 * t685 * t160 * t883 / 0.9e1 - t963 * t981 * t888 / 0.2e1 - 0.2e1 * t2545 - 0… in func_pol()
H A Dmgga_c_cs.c261 …v4rho3lapl[0] = 0.24043555555555555556e-2 * t194 - 0.86009809111111111109e-3 * t197 - 0.6242488437… in func_unpol()
515 v4rho3lapl[0] = 0.0e0; in func_ferr()
2537 v4rho3lapl[0] = t3047 + t3084; in func_pol()
2575 v4rho3lapl[1] = t3136 + t3172; in func_pol()
2609 v4rho3lapl[2] = t3235 + t3261 + t3272 + t3289; in func_pol()
2643 v4rho3lapl[3] = t3322 + t3374 + t3386 + t3404; in func_pol()
2662 v4rho3lapl[4] = t3458 + t3466 + t3477 + t3488; in func_pol()
2683 v4rho3lapl[5] = t3547 + t3555 + t3564 + t3577; in func_pol()
2689 v4rho3lapl[6] = t3613 + t3621; in func_pol()
2696 v4rho3lapl[7] = t3672 + t3680; in func_pol()
H A Dmgga_x_2d_js17.c318 v4rho3lapl[0] = 0.0e0; in func_unpol()
729 v4rho3lapl[0] = 0.0e0; in func_ferr()
2597 v4rho3lapl[0] = 0.0e0; in func_pol()
2600 v4rho3lapl[1] = 0.0e0; in func_pol()
2603 v4rho3lapl[2] = 0.0e0; in func_pol()
2606 v4rho3lapl[3] = 0.0e0; in func_pol()
2609 v4rho3lapl[4] = 0.0e0; in func_pol()
2612 v4rho3lapl[5] = 0.0e0; in func_pol()
2615 v4rho3lapl[6] = 0.0e0; in func_pol()
2618 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_gvt4.c477 v4rho3lapl[0] = 0.0e0; in func_unpol()
1072 v4rho3lapl[0] = 0.0e0; in func_ferr()
3188 v4rho3lapl[0] = 0.0e0; in func_pol()
3191 v4rho3lapl[1] = 0.0e0; in func_pol()
3194 v4rho3lapl[2] = 0.0e0; in func_pol()
3197 v4rho3lapl[3] = 0.0e0; in func_pol()
3200 v4rho3lapl[4] = 0.0e0; in func_pol()
3203 v4rho3lapl[5] = 0.0e0; in func_pol()
3206 v4rho3lapl[6] = 0.0e0; in func_pol()
3209 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_pkzb.c390 v4rho3lapl[0] = 0.0e0; in func_unpol()
879 v4rho3lapl[0] = 0.0e0; in func_ferr()
3087 v4rho3lapl[0] = 0.0e0; in func_pol()
3090 v4rho3lapl[1] = 0.0e0; in func_pol()
3093 v4rho3lapl[2] = 0.0e0; in func_pol()
3096 v4rho3lapl[3] = 0.0e0; in func_pol()
3099 v4rho3lapl[4] = 0.0e0; in func_pol()
3102 v4rho3lapl[5] = 0.0e0; in func_pol()
3105 v4rho3lapl[6] = 0.0e0; in func_pol()
3108 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_dldf.c417 v4rho3lapl[0] = 0.0e0; in func_unpol()
912 v4rho3lapl[0] = 0.0e0; in func_ferr()
3375 v4rho3lapl[0] = 0.0e0; in func_pol()
3378 v4rho3lapl[1] = 0.0e0; in func_pol()
3381 v4rho3lapl[2] = 0.0e0; in func_pol()
3384 v4rho3lapl[3] = 0.0e0; in func_pol()
3387 v4rho3lapl[4] = 0.0e0; in func_pol()
3390 v4rho3lapl[5] = 0.0e0; in func_pol()
3393 v4rho3lapl[6] = 0.0e0; in func_pol()
3396 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_xc_cc06.c366 …v4rho3lapl[0] = 0.3e1 * t172 * t114 + 0.6e1 * t86 * t226 + 0.3e1 * t40 * t388 + t322 * t114 + 0.3e… in func_unpol()
831 …v4rho3lapl[0] = 0.3e1 * t169 * t111 + 0.6e1 * t83 * t223 + 0.3e1 * t37 * t385 + t319 * t111 + 0.3e… in func_ferr()
3207 …v4rho3lapl[0] = 0.3e1 * t4261 + 0.6e1 * t4263 + 0.3e1 * t4265 + t1227 * t308 + 0.3e1 * t526 * t778… in func_pol()
3218 …v4rho3lapl[1] = t1227 * t316 + 0.3e1 * t1890 * t230 + t232 * t4488 + 0.3e1 * t526 * t799 + 0.3e1 *… in func_pol()
3242 …v4rho3lapl[2] = t4261 + 0.2e1 * t4263 + t4265 + t4492 + t4494 + t1409 * t308 + 0.2e1 * t626 * t778… in func_pol()
3259 …v4rho3lapl[3] = t4402 + 0.2e1 * t4404 + t4406 + t4682 + t4684 + t1409 * t316 + 0.2e1 * t626 * t799… in func_pol()
3274 …v4rho3lapl[4] = t4492 + t4494 + t4500 + t4502 + t4849 + t1574 * t308 + t704 * t778 + 0.2e1 * t4852… in func_pol()
3294 …v4rho3lapl[5] = t4682 + t4684 + t4690 + t4692 + t5009 + t1574 * t316 + t704 * t799 + 0.2e1 * t5012… in func_pol()
3299 …v4rho3lapl[6] = t1714 * t308 + 0.3e1 * t2065 * t276 + t232 * t5267 + 0.3e1 * t704 * t816 + 0.3e1 *… in func_pol()
3305 …v4rho3lapl[7] = 0.3e1 * t5009 + 0.6e1 * t5012 + 0.3e1 * t5018 + t1714 * t316 + 0.3e1 * t704 * t840… in func_pol()
H A Dmgga_x_tau_hcth.c520 v4rho3lapl[0] = 0.0e0; in func_unpol()
1147 v4rho3lapl[0] = 0.0e0; in func_ferr()
3378 v4rho3lapl[0] = 0.0e0; in func_pol()
3381 v4rho3lapl[1] = 0.0e0; in func_pol()
3384 v4rho3lapl[2] = 0.0e0; in func_pol()
3387 v4rho3lapl[3] = 0.0e0; in func_pol()
3390 v4rho3lapl[4] = 0.0e0; in func_pol()
3393 v4rho3lapl[5] = 0.0e0; in func_pol()
3396 v4rho3lapl[6] = 0.0e0; in func_pol()
3399 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_gx.c926 v4rho3lapl[0] = 0.0e0; in func_unpol()
2042 v4rho3lapl[0] = 0.0e0; in func_ferr()
5019 v4rho3lapl[0] = 0.0e0; in func_pol()
5022 v4rho3lapl[1] = 0.0e0; in func_pol()
5025 v4rho3lapl[2] = 0.0e0; in func_pol()
5028 v4rho3lapl[3] = 0.0e0; in func_pol()
5031 v4rho3lapl[4] = 0.0e0; in func_pol()
5034 v4rho3lapl[5] = 0.0e0; in func_pol()
5037 v4rho3lapl[6] = 0.0e0; in func_pol()
5040 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_m05.c831 v4rho3lapl[0] = 0.0e0; in func_unpol()
1848 v4rho3lapl[0] = 0.0e0; in func_ferr()
5266 v4rho3lapl[0] = 0.0e0; in func_pol()
5269 v4rho3lapl[1] = 0.0e0; in func_pol()
5272 v4rho3lapl[2] = 0.0e0; in func_pol()
5275 v4rho3lapl[3] = 0.0e0; in func_pol()
5278 v4rho3lapl[4] = 0.0e0; in func_pol()
5281 v4rho3lapl[5] = 0.0e0; in func_pol()
5284 v4rho3lapl[6] = 0.0e0; in func_pol()
5287 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_mvs.c717 v4rho3lapl[0] = 0.0e0; in func_unpol()
1591 v4rho3lapl[0] = 0.0e0; in func_ferr()
5094 v4rho3lapl[0] = 0.0e0; in func_pol()
5097 v4rho3lapl[1] = 0.0e0; in func_pol()
5100 v4rho3lapl[2] = 0.0e0; in func_pol()
5103 v4rho3lapl[3] = 0.0e0; in func_pol()
5106 v4rho3lapl[4] = 0.0e0; in func_pol()
5109 v4rho3lapl[5] = 0.0e0; in func_pol()
5112 v4rho3lapl[6] = 0.0e0; in func_pol()
5115 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_pbe_gx.c994 v4rho3lapl[0] = 0.0e0; in func_unpol()
2157 v4rho3lapl[0] = 0.0e0; in func_ferr()
6014 v4rho3lapl[0] = 0.0e0; in func_pol()
6017 v4rho3lapl[1] = 0.0e0; in func_pol()
6020 v4rho3lapl[2] = 0.0e0; in func_pol()
6023 v4rho3lapl[3] = 0.0e0; in func_pol()
6026 v4rho3lapl[4] = 0.0e0; in func_pol()
6029 v4rho3lapl[5] = 0.0e0; in func_pol()
6032 v4rho3lapl[6] = 0.0e0; in func_pol()
6035 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_m06l.c1090 v4rho3lapl[0] = 0.0e0; in func_unpol()
2412 v4rho3lapl[0] = 0.0e0; in func_ferr()
5905 v4rho3lapl[0] = 0.0e0; in func_pol()
5908 v4rho3lapl[1] = 0.0e0; in func_pol()
5911 v4rho3lapl[2] = 0.0e0; in func_pol()
5914 v4rho3lapl[3] = 0.0e0; in func_pol()
5917 v4rho3lapl[4] = 0.0e0; in func_pol()
5920 v4rho3lapl[5] = 0.0e0; in func_pol()
5923 v4rho3lapl[6] = 0.0e0; in func_pol()
5926 v4rho3lapl[7] = 0.0e0; in func_pol()
H A Dmgga_x_mvsb.c900 v4rho3lapl[0] = 0.0e0; in func_unpol()
1993 v4rho3lapl[0] = 0.0e0; in func_ferr()
5931 v4rho3lapl[0] = 0.0e0; in func_pol()
5934 v4rho3lapl[1] = 0.0e0; in func_pol()
5937 v4rho3lapl[2] = 0.0e0; in func_pol()
5940 v4rho3lapl[3] = 0.0e0; in func_pol()
5943 v4rho3lapl[4] = 0.0e0; in func_pol()
5946 v4rho3lapl[5] = 0.0e0; in func_pol()
5949 v4rho3lapl[6] = 0.0e0; in func_pol()
5952 v4rho3lapl[7] = 0.0e0; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c408 v4rho3lapl[0] = t621 + t670; in func_unpol()
1014 v4rho3lapl[0] = t584 + t628; in func_ferr()
2465 v4rho3lapl[0] = t1579 + t1618; in func_pol()
2468 v4rho3lapl[1] = 0.0e0; in func_pol()
2471 v4rho3lapl[2] = 0.0e0; in func_pol()
2474 v4rho3lapl[3] = 0.0e0; in func_pol()
2477 v4rho3lapl[4] = 0.0e0; in func_pol()
2480 v4rho3lapl[5] = 0.0e0; in func_pol()
2483 v4rho3lapl[6] = 0.0e0; in func_pol()
2500 v4rho3lapl[7] = t1658 + t1699; in func_pol()

123