Home
last modified time | relevance | path

Searched refs:v4rholapl3 (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c282 dim->v4rholapl3 = dim->v4rholapl2tau = dim->v4rholapltau2 = dim->v4rhotau3 = 1; in internal_counters_set_mgga()
328 dim->v4rholapl3 = 2*4; in internal_counters_set_mgga()
579 *v4rholapl3 += pos*dim->v4rholapl3 + offset; in internal_counters_mgga_random()
673 *v4rholapl3 += dim->v4rholapl3 + offset; in internal_counters_mgga_next()
767 *v4rholapl3 -= dim->v4rholapl3 + offset; in internal_counters_mgga_prev()
H A Dmgga.c166 assert(v4rholapl3 != NULL); in xc_mgga()
205 libxc_memset(v4rholapl3, 0, dim->v4rholapl3 *np*sizeof(double)); in xc_mgga()
415 … double *v4rholapl3, double *v4rholapl2tau, double *v4rholapltau2, double *v4rhotau3, in xc_mgga_lxc() argument
429 v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, in xc_mgga_lxc()
H A Dlibxc_master.F90619 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
640 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
767 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
780 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1321 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
1341 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1356 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
1519 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
1531 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1540 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
H A Dxc.h107 P_ v4rholapl3, P_ v4rholapl2tau, P_ v4rholapltau2, P_ v4rhotau3, \
363 double *v4rholapl3, double *v4rholapl2tau, double *v4rholapltau2, double *v4rhotau3,
H A Dmix_func.c256 v4rholapl3_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rholapl3); in xc_mix_func()
409 sum_var(v4rholapl3); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901214 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
1235 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1362 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
1375 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1968 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
1988 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
2003 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
2166 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
2178 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
2187 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c258 v4rholapl3[0] = 0.0e0; in func_unpol()
573 v4rholapl3[0] = 0.0e0; in func_ferr()
2577 v4rholapl3[0] = 0.0e0; in func_pol()
2580 v4rholapl3[1] = 0.0e0; in func_pol()
2583 v4rholapl3[2] = 0.0e0; in func_pol()
2586 v4rholapl3[3] = 0.0e0; in func_pol()
2589 v4rholapl3[4] = 0.0e0; in func_pol()
2592 v4rholapl3[5] = 0.0e0; in func_pol()
2595 v4rholapl3[6] = 0.0e0; in func_pol()
2598 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_xc_zlp.c289 v4rholapl3[0] = 0.0e0; in func_unpol()
635 v4rholapl3[0] = 0.0e0; in func_ferr()
2681 v4rholapl3[0] = 0.0e0; in func_pol()
2684 v4rholapl3[1] = 0.0e0; in func_pol()
2687 v4rholapl3[2] = 0.0e0; in func_pol()
2690 v4rholapl3[3] = 0.0e0; in func_pol()
2693 v4rholapl3[4] = 0.0e0; in func_pol()
2696 v4rholapl3[5] = 0.0e0; in func_pol()
2699 v4rholapl3[6] = 0.0e0; in func_pol()
2702 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_gdme.c275 v4rholapl3[0] = 0.0e0; in func_unpol()
604 v4rholapl3[0] = 0.0e0; in func_ferr()
2996 v4rholapl3[0] = 0.0e0; in func_pol()
2999 v4rholapl3[1] = 0.0e0; in func_pol()
3002 v4rholapl3[2] = 0.0e0; in func_pol()
3005 v4rholapl3[3] = 0.0e0; in func_pol()
3008 v4rholapl3[4] = 0.0e0; in func_pol()
3011 v4rholapl3[5] = 0.0e0; in func_pol()
3014 v4rholapl3[6] = 0.0e0; in func_pol()
3017 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_lta.c280 v4rholapl3[0] = 0.0e0; in func_unpol()
609 v4rholapl3[0] = 0.0e0; in func_ferr()
3010 v4rholapl3[0] = 0.0e0; in func_pol()
3013 v4rholapl3[1] = 0.0e0; in func_pol()
3016 v4rholapl3[2] = 0.0e0; in func_pol()
3019 v4rholapl3[3] = 0.0e0; in func_pol()
3022 v4rholapl3[4] = 0.0e0; in func_pol()
3025 v4rholapl3[5] = 0.0e0; in func_pol()
3028 v4rholapl3[6] = 0.0e0; in func_pol()
3031 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_rlda.c370 v4rholapl3[0] = -t109 * t275 / 0.4e1 - 0.3e1 / 0.16e2 * t40 * t41 * t470; in func_unpol()
798 v4rholapl3[0] = -t98 * t264 / 0.2e1 - 0.3e1 / 0.8e1 * t34 * t35 * t452; in func_ferr()
3307 …v4rholapl3[0] = -t3236 / 0.2e1 - t145 * t360 * t1267 * t71 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t146 *… in func_pol()
3310 v4rholapl3[1] = 0.0e0; in func_pol()
3313 v4rholapl3[2] = 0.0e0; in func_pol()
3317 v4rholapl3[3] = -t145 * t383 * t1277 * t101 / 0.2e1 - t3257 / 0.2e1; in func_pol()
3320 v4rholapl3[4] = -t145 * t360 * t1267 * t113 / 0.2e1 - t3236 / 0.2e1; in func_pol()
3323 v4rholapl3[5] = 0.0e0; in func_pol()
3326 v4rholapl3[6] = 0.0e0; in func_pol()
3333 …v4rholapl3[7] = -t3257 / 0.2e1 - t145 * t383 * t1277 * t118 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t155 … in func_pol()
H A Dmgga_c_cs.c303 v4rholapl3[0] = 0.0e0; in func_unpol()
557 v4rholapl3[0] = 0.0e0; in func_ferr()
3614 v4rholapl3[0] = 0.0e0; in func_pol()
3617 v4rholapl3[1] = 0.0e0; in func_pol()
3620 v4rholapl3[2] = 0.0e0; in func_pol()
3623 v4rholapl3[3] = 0.0e0; in func_pol()
3626 v4rholapl3[4] = 0.0e0; in func_pol()
3629 v4rholapl3[5] = 0.0e0; in func_pol()
3632 v4rholapl3[6] = 0.0e0; in func_pol()
3635 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_2d_js17.c366 v4rholapl3[0] = 0.0e0; in func_unpol()
780 v4rholapl3[0] = 0.0e0; in func_ferr()
3393 v4rholapl3[0] = 0.0e0; in func_pol()
3396 v4rholapl3[1] = 0.0e0; in func_pol()
3399 v4rholapl3[2] = 0.0e0; in func_pol()
3402 v4rholapl3[3] = 0.0e0; in func_pol()
3405 v4rholapl3[4] = 0.0e0; in func_pol()
3408 v4rholapl3[5] = 0.0e0; in func_pol()
3411 v4rholapl3[6] = 0.0e0; in func_pol()
3414 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_gvt4.c548 v4rholapl3[0] = 0.0e0; in func_unpol()
1142 v4rholapl3[0] = 0.0e0; in func_ferr()
3984 v4rholapl3[0] = 0.0e0; in func_pol()
3987 v4rholapl3[1] = 0.0e0; in func_pol()
3990 v4rholapl3[2] = 0.0e0; in func_pol()
3993 v4rholapl3[3] = 0.0e0; in func_pol()
3996 v4rholapl3[4] = 0.0e0; in func_pol()
3999 v4rholapl3[5] = 0.0e0; in func_pol()
4002 v4rholapl3[6] = 0.0e0; in func_pol()
4005 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_pkzb.c443 v4rholapl3[0] = 0.0e0; in func_unpol()
932 v4rholapl3[0] = 0.0e0; in func_ferr()
3943 v4rholapl3[0] = 0.0e0; in func_pol()
3946 v4rholapl3[1] = 0.0e0; in func_pol()
3949 v4rholapl3[2] = 0.0e0; in func_pol()
3952 v4rholapl3[3] = 0.0e0; in func_pol()
3955 v4rholapl3[4] = 0.0e0; in func_pol()
3958 v4rholapl3[5] = 0.0e0; in func_pol()
3961 v4rholapl3[6] = 0.0e0; in func_pol()
3964 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_dldf.c471 v4rholapl3[0] = 0.0e0; in func_unpol()
963 v4rholapl3[0] = 0.0e0; in func_ferr()
4187 v4rholapl3[0] = 0.0e0; in func_pol()
4190 v4rholapl3[1] = 0.0e0; in func_pol()
4193 v4rholapl3[2] = 0.0e0; in func_pol()
4196 v4rholapl3[3] = 0.0e0; in func_pol()
4199 v4rholapl3[4] = 0.0e0; in func_pol()
4202 v4rholapl3[5] = 0.0e0; in func_pol()
4205 v4rholapl3[6] = 0.0e0; in func_pol()
4208 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_xc_cc06.c410 …v4rholapl3[0] = t40 * t413 + t87 * t413 + t89 * (-0.92465712191997450220e-5 * t397 + 0.80136950566… in func_unpol()
875 …v4rholapl3[0] = t37 * t410 + t84 * t410 + t86 * (-0.92465712191997450220e-5 * t394 + 0.80136950566… in func_ferr()
4057 …v4rholapl3[0] = t6051 + t230 * t2290 + t232 * (-0.92465712191997450220e-5 * t6055 * t568 + 0.92465… in func_pol()
4067 …v4rholapl3[1] = t6074 + t230 * t2299 + t232 * (0.30821904063999150073e-5 * t4791 * t847 * t241 - 0… in func_pol()
4078 …v4rholapl3[2] = t6110 + t230 * t2309 + t232 * (0.61643808127998300147e-5 * t6112 * t2159 - 0.48082… in func_pol()
4085 …v4rholapl3[3] = t6145 + t230 * t2319 + t232 * (0.92465712191997450220e-5 * t6147 * t4423 - 0.48082… in func_pol()
4089 …v4rholapl3[4] = t6051 + t276 * t2290 + t232 * (0.92465712191997450220e-5 * t6058 * t4613 - 0.48082… in func_pol()
4093 …v4rholapl3[5] = t6074 + t276 * t2299 + t232 * (-0.30821904063999150073e-5 * t819 * t2292 + 0.30821… in func_pol()
4097 …v4rholapl3[6] = t6110 + t276 * t2309 + t232 * (-0.61643808127998300147e-5 * t2259 * t2301 + 0.6164… in func_pol()
4102 …v4rholapl3[7] = t6145 + t276 * t2319 + t232 * (-0.92465712191997450220e-5 * t6225 * t568 + 0.92465… in func_pol()
H A Dmgga_x_tau_hcth.c580 v4rholapl3[0] = 0.0e0; in func_unpol()
1207 v4rholapl3[0] = 0.0e0; in func_ferr()
4188 v4rholapl3[0] = 0.0e0; in func_pol()
4191 v4rholapl3[1] = 0.0e0; in func_pol()
4194 v4rholapl3[2] = 0.0e0; in func_pol()
4197 v4rholapl3[3] = 0.0e0; in func_pol()
4200 v4rholapl3[4] = 0.0e0; in func_pol()
4203 v4rholapl3[5] = 0.0e0; in func_pol()
4206 v4rholapl3[6] = 0.0e0; in func_pol()
4209 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_gx.c1095 v4rholapl3[0] = 0.0e0; in func_unpol()
2179 v4rholapl3[0] = 0.0e0; in func_ferr()
5950 v4rholapl3[0] = 0.0e0; in func_pol()
5953 v4rholapl3[1] = 0.0e0; in func_pol()
5956 v4rholapl3[2] = 0.0e0; in func_pol()
5959 v4rholapl3[3] = 0.0e0; in func_pol()
5962 v4rholapl3[4] = 0.0e0; in func_pol()
5965 v4rholapl3[5] = 0.0e0; in func_pol()
5968 v4rholapl3[6] = 0.0e0; in func_pol()
5971 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_m05.c935 v4rholapl3[0] = 0.0e0; in func_unpol()
1968 v4rholapl3[0] = 0.0e0; in func_ferr()
6226 v4rholapl3[0] = 0.0e0; in func_pol()
6229 v4rholapl3[1] = 0.0e0; in func_pol()
6232 v4rholapl3[2] = 0.0e0; in func_pol()
6235 v4rholapl3[3] = 0.0e0; in func_pol()
6238 v4rholapl3[4] = 0.0e0; in func_pol()
6241 v4rholapl3[5] = 0.0e0; in func_pol()
6244 v4rholapl3[6] = 0.0e0; in func_pol()
6247 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_mvs.c841 v4rholapl3[0] = 0.0e0; in func_unpol()
1719 v4rholapl3[0] = 0.0e0; in func_ferr()
6188 v4rholapl3[0] = 0.0e0; in func_pol()
6191 v4rholapl3[1] = 0.0e0; in func_pol()
6194 v4rholapl3[2] = 0.0e0; in func_pol()
6197 v4rholapl3[3] = 0.0e0; in func_pol()
6200 v4rholapl3[4] = 0.0e0; in func_pol()
6203 v4rholapl3[5] = 0.0e0; in func_pol()
6206 v4rholapl3[6] = 0.0e0; in func_pol()
6209 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_pbe_gx.c1156 v4rholapl3[0] = 0.0e0; in func_unpol()
2291 v4rholapl3[0] = 0.0e0; in func_ferr()
7087 v4rholapl3[0] = 0.0e0; in func_pol()
7090 v4rholapl3[1] = 0.0e0; in func_pol()
7093 v4rholapl3[2] = 0.0e0; in func_pol()
7096 v4rholapl3[3] = 0.0e0; in func_pol()
7099 v4rholapl3[4] = 0.0e0; in func_pol()
7102 v4rholapl3[5] = 0.0e0; in func_pol()
7105 v4rholapl3[6] = 0.0e0; in func_pol()
7108 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_m06l.c1238 v4rholapl3[0] = 0.0e0; in func_unpol()
2569 v4rholapl3[0] = 0.0e0; in func_ferr()
6879 v4rholapl3[0] = 0.0e0; in func_pol()
6882 v4rholapl3[1] = 0.0e0; in func_pol()
6885 v4rholapl3[2] = 0.0e0; in func_pol()
6888 v4rholapl3[3] = 0.0e0; in func_pol()
6891 v4rholapl3[4] = 0.0e0; in func_pol()
6894 v4rholapl3[5] = 0.0e0; in func_pol()
6897 v4rholapl3[6] = 0.0e0; in func_pol()
6900 v4rholapl3[7] = 0.0e0; in func_pol()
H A Dmgga_x_mvsb.c1037 v4rholapl3[0] = 0.0e0; in func_unpol()
2125 v4rholapl3[0] = 0.0e0; in func_ferr()
7034 v4rholapl3[0] = 0.0e0; in func_pol()
7037 v4rholapl3[1] = 0.0e0; in func_pol()
7040 v4rholapl3[2] = 0.0e0; in func_pol()
7043 v4rholapl3[3] = 0.0e0; in func_pol()
7046 v4rholapl3[4] = 0.0e0; in func_pol()
7049 v4rholapl3[5] = 0.0e0; in func_pol()
7052 v4rholapl3[6] = 0.0e0; in func_pol()
7055 v4rholapl3[7] = 0.0e0; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c595 …v4rholapl3[0] = -0.3e1 / 0.4e1 * t37 * t1396 * t641 * t88 - 0.3e1 / 0.8e1 * t1402 * t1403 + 0.3e1 … in func_unpol()
1202 …v4rholapl3[0] = -t274 - t1329 * t304 * t306 / 0.4e1 - 0.3e1 / 0.4e1 * t1139 - 0.3e1 / 0.2e1 * t114… in func_ferr()
2744 …v4rholapl3[0] = -t2136 * t488 * t490 / 0.4e1 + 0.3e1 / 0.2e1 * t2236 * t1547 - 0.3e1 / 0.2e1 * t22… in func_pol()
2747 v4rholapl3[1] = 0.0e0; in func_pol()
2750 v4rholapl3[2] = 0.0e0; in func_pol()
2753 v4rholapl3[3] = 0.0e0; in func_pol()
2756 v4rholapl3[4] = 0.0e0; in func_pol()
2759 v4rholapl3[5] = 0.0e0; in func_pol()
2762 v4rholapl3[6] = 0.0e0; in func_pol()
2773 …v4rholapl3[7] = -t2195 * t506 * t508 / 0.4e1 - 0.3e1 / 0.4e1 * t2275 + 0.3e1 / 0.4e1 * t2278 * t31… in func_pol()

123