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Searched refs:v4rholapltau2 (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()
330 dim->v4rholapltau2 = 2*2*3; in internal_counters_set_mgga()
581 *v4rholapltau2 += pos*dim->v4rholapltau2 + offset; in internal_counters_mgga_random()
675 *v4rholapltau2 += dim->v4rholapltau2 + offset; in internal_counters_mgga_next()
769 *v4rholapltau2 -= dim->v4rholapltau2 + offset; in internal_counters_mgga_prev()
H A Dmgga.c168 assert(v4rholapltau2 != NULL); in xc_mgga()
207 libxc_memset(v4rholapltau2, 0, dim->v4rholapltau2 *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.c258 v4rholapltau2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rholapltau2); in xc_mix_func()
411 sum_var(v4rholapltau2); 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.c264 v4rholapltau2[0] = 0.0e0; in func_unpol()
579 v4rholapltau2[0] = 0.0e0; in func_ferr()
2637 v4rholapltau2[0] = 0.0e0; in func_pol()
2640 v4rholapltau2[1] = 0.0e0; in func_pol()
2643 v4rholapltau2[2] = 0.0e0; in func_pol()
2646 v4rholapltau2[3] = 0.0e0; in func_pol()
2649 v4rholapltau2[4] = 0.0e0; in func_pol()
2652 v4rholapltau2[5] = 0.0e0; in func_pol()
2655 v4rholapltau2[6] = 0.0e0; in func_pol()
2658 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c295 v4rholapltau2[0] = 0.0e0; in func_unpol()
641 v4rholapltau2[0] = 0.0e0; in func_ferr()
2741 v4rholapltau2[0] = 0.0e0; in func_pol()
2744 v4rholapltau2[1] = 0.0e0; in func_pol()
2747 v4rholapltau2[2] = 0.0e0; in func_pol()
2750 v4rholapltau2[3] = 0.0e0; in func_pol()
2753 v4rholapltau2[4] = 0.0e0; in func_pol()
2756 v4rholapltau2[5] = 0.0e0; in func_pol()
2759 v4rholapltau2[6] = 0.0e0; in func_pol()
2762 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c281 v4rholapltau2[0] = 0.0e0; in func_unpol()
610 v4rholapltau2[0] = 0.0e0; in func_ferr()
3056 v4rholapltau2[0] = 0.0e0; in func_pol()
3059 v4rholapltau2[1] = 0.0e0; in func_pol()
3062 v4rholapltau2[2] = 0.0e0; in func_pol()
3065 v4rholapltau2[3] = 0.0e0; in func_pol()
3068 v4rholapltau2[4] = 0.0e0; in func_pol()
3071 v4rholapltau2[5] = 0.0e0; in func_pol()
3074 v4rholapltau2[6] = 0.0e0; in func_pol()
3077 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c286 v4rholapltau2[0] = 0.0e0; in func_unpol()
615 v4rholapltau2[0] = 0.0e0; in func_ferr()
3070 v4rholapltau2[0] = 0.0e0; in func_pol()
3073 v4rholapltau2[1] = 0.0e0; in func_pol()
3076 v4rholapltau2[2] = 0.0e0; in func_pol()
3079 v4rholapltau2[3] = 0.0e0; in func_pol()
3082 v4rholapltau2[4] = 0.0e0; in func_pol()
3085 v4rholapltau2[5] = 0.0e0; in func_pol()
3088 v4rholapltau2[6] = 0.0e0; in func_pol()
3091 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c806 v4rholapltau2[0] = -t98 * t274 / 0.2e1 - 0.3e1 / 0.8e1 * t34 * t35 * t470; in func_ferr()
3381 v4rholapltau2[1] = 0.0e0; in func_pol()
3384 v4rholapltau2[2] = 0.0e0; in func_pol()
3387 v4rholapltau2[3] = 0.0e0; in func_pol()
3390 v4rholapltau2[4] = 0.0e0; in func_pol()
3394 v4rholapltau2[5] = -t145 * t383 * t1297 * t101 / 0.2e1 - t3333 / 0.2e1; in func_pol()
3397 v4rholapltau2[6] = -t145 * t360 * t1292 * t113 / 0.2e1 - t3320 / 0.2e1; in func_pol()
3400 v4rholapltau2[7] = 0.0e0; in func_pol()
3403 v4rholapltau2[8] = 0.0e0; in func_pol()
3406 v4rholapltau2[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c309 v4rholapltau2[0] = 0.0e0; in func_unpol()
563 v4rholapltau2[0] = 0.0e0; in func_ferr()
3674 v4rholapltau2[0] = 0.0e0; in func_pol()
3677 v4rholapltau2[1] = 0.0e0; in func_pol()
3680 v4rholapltau2[2] = 0.0e0; in func_pol()
3683 v4rholapltau2[3] = 0.0e0; in func_pol()
3686 v4rholapltau2[4] = 0.0e0; in func_pol()
3689 v4rholapltau2[5] = 0.0e0; in func_pol()
3692 v4rholapltau2[6] = 0.0e0; in func_pol()
3695 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c372 v4rholapltau2[0] = 0.0e0; in func_unpol()
786 v4rholapltau2[0] = 0.0e0; in func_ferr()
3453 v4rholapltau2[0] = 0.0e0; in func_pol()
3456 v4rholapltau2[1] = 0.0e0; in func_pol()
3459 v4rholapltau2[2] = 0.0e0; in func_pol()
3462 v4rholapltau2[3] = 0.0e0; in func_pol()
3465 v4rholapltau2[4] = 0.0e0; in func_pol()
3468 v4rholapltau2[5] = 0.0e0; in func_pol()
3471 v4rholapltau2[6] = 0.0e0; in func_pol()
3474 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c554 v4rholapltau2[0] = 0.0e0; in func_unpol()
1148 v4rholapltau2[0] = 0.0e0; in func_ferr()
4044 v4rholapltau2[0] = 0.0e0; in func_pol()
4047 v4rholapltau2[1] = 0.0e0; in func_pol()
4050 v4rholapltau2[2] = 0.0e0; in func_pol()
4053 v4rholapltau2[3] = 0.0e0; in func_pol()
4056 v4rholapltau2[4] = 0.0e0; in func_pol()
4059 v4rholapltau2[5] = 0.0e0; in func_pol()
4062 v4rholapltau2[6] = 0.0e0; in func_pol()
4065 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c449 v4rholapltau2[0] = 0.0e0; in func_unpol()
938 v4rholapltau2[0] = 0.0e0; in func_ferr()
4003 v4rholapltau2[0] = 0.0e0; in func_pol()
4006 v4rholapltau2[1] = 0.0e0; in func_pol()
4009 v4rholapltau2[2] = 0.0e0; in func_pol()
4012 v4rholapltau2[3] = 0.0e0; in func_pol()
4015 v4rholapltau2[4] = 0.0e0; in func_pol()
4018 v4rholapltau2[5] = 0.0e0; in func_pol()
4021 v4rholapltau2[6] = 0.0e0; in func_pol()
4024 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c477 v4rholapltau2[0] = 0.0e0; in func_unpol()
969 v4rholapltau2[0] = 0.0e0; in func_ferr()
4247 v4rholapltau2[0] = 0.0e0; in func_pol()
4250 v4rholapltau2[1] = 0.0e0; in func_pol()
4253 v4rholapltau2[2] = 0.0e0; in func_pol()
4256 v4rholapltau2[3] = 0.0e0; in func_pol()
4259 v4rholapltau2[4] = 0.0e0; in func_pol()
4262 v4rholapltau2[5] = 0.0e0; in func_pol()
4265 v4rholapltau2[6] = 0.0e0; in func_pol()
4268 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c416 v4rholapltau2[0] = 0.0e0; in func_unpol()
881 v4rholapltau2[0] = 0.0e0; in func_ferr()
4141 v4rholapltau2[0] = 0.0e0; in func_pol()
4144 v4rholapltau2[1] = 0.0e0; in func_pol()
4147 v4rholapltau2[2] = 0.0e0; in func_pol()
4150 v4rholapltau2[3] = 0.0e0; in func_pol()
4153 v4rholapltau2[4] = 0.0e0; in func_pol()
4156 v4rholapltau2[5] = 0.0e0; in func_pol()
4159 v4rholapltau2[6] = 0.0e0; in func_pol()
4162 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c586 v4rholapltau2[0] = 0.0e0; in func_unpol()
1213 v4rholapltau2[0] = 0.0e0; in func_ferr()
4248 v4rholapltau2[0] = 0.0e0; in func_pol()
4251 v4rholapltau2[1] = 0.0e0; in func_pol()
4254 v4rholapltau2[2] = 0.0e0; in func_pol()
4257 v4rholapltau2[3] = 0.0e0; in func_pol()
4260 v4rholapltau2[4] = 0.0e0; in func_pol()
4263 v4rholapltau2[5] = 0.0e0; in func_pol()
4266 v4rholapltau2[6] = 0.0e0; in func_pol()
4269 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1101 v4rholapltau2[0] = 0.0e0; in func_unpol()
2185 v4rholapltau2[0] = 0.0e0; in func_ferr()
6010 v4rholapltau2[0] = 0.0e0; in func_pol()
6013 v4rholapltau2[1] = 0.0e0; in func_pol()
6016 v4rholapltau2[2] = 0.0e0; in func_pol()
6019 v4rholapltau2[3] = 0.0e0; in func_pol()
6022 v4rholapltau2[4] = 0.0e0; in func_pol()
6025 v4rholapltau2[5] = 0.0e0; in func_pol()
6028 v4rholapltau2[6] = 0.0e0; in func_pol()
6031 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c941 v4rholapltau2[0] = 0.0e0; in func_unpol()
1974 v4rholapltau2[0] = 0.0e0; in func_ferr()
6286 v4rholapltau2[0] = 0.0e0; in func_pol()
6289 v4rholapltau2[1] = 0.0e0; in func_pol()
6292 v4rholapltau2[2] = 0.0e0; in func_pol()
6295 v4rholapltau2[3] = 0.0e0; in func_pol()
6298 v4rholapltau2[4] = 0.0e0; in func_pol()
6301 v4rholapltau2[5] = 0.0e0; in func_pol()
6304 v4rholapltau2[6] = 0.0e0; in func_pol()
6307 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c847 v4rholapltau2[0] = 0.0e0; in func_unpol()
1725 v4rholapltau2[0] = 0.0e0; in func_ferr()
6248 v4rholapltau2[0] = 0.0e0; in func_pol()
6251 v4rholapltau2[1] = 0.0e0; in func_pol()
6254 v4rholapltau2[2] = 0.0e0; in func_pol()
6257 v4rholapltau2[3] = 0.0e0; in func_pol()
6260 v4rholapltau2[4] = 0.0e0; in func_pol()
6263 v4rholapltau2[5] = 0.0e0; in func_pol()
6266 v4rholapltau2[6] = 0.0e0; in func_pol()
6269 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1162 v4rholapltau2[0] = 0.0e0; in func_unpol()
2297 v4rholapltau2[0] = 0.0e0; in func_ferr()
7147 v4rholapltau2[0] = 0.0e0; in func_pol()
7150 v4rholapltau2[1] = 0.0e0; in func_pol()
7153 v4rholapltau2[2] = 0.0e0; in func_pol()
7156 v4rholapltau2[3] = 0.0e0; in func_pol()
7159 v4rholapltau2[4] = 0.0e0; in func_pol()
7162 v4rholapltau2[5] = 0.0e0; in func_pol()
7165 v4rholapltau2[6] = 0.0e0; in func_pol()
7168 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1244 v4rholapltau2[0] = 0.0e0; in func_unpol()
2575 v4rholapltau2[0] = 0.0e0; in func_ferr()
6939 v4rholapltau2[0] = 0.0e0; in func_pol()
6942 v4rholapltau2[1] = 0.0e0; in func_pol()
6945 v4rholapltau2[2] = 0.0e0; in func_pol()
6948 v4rholapltau2[3] = 0.0e0; in func_pol()
6951 v4rholapltau2[4] = 0.0e0; in func_pol()
6954 v4rholapltau2[5] = 0.0e0; in func_pol()
6957 v4rholapltau2[6] = 0.0e0; in func_pol()
6960 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c1043 v4rholapltau2[0] = 0.0e0; in func_unpol()
2131 v4rholapltau2[0] = 0.0e0; in func_ferr()
7094 v4rholapltau2[0] = 0.0e0; in func_pol()
7097 v4rholapltau2[1] = 0.0e0; in func_pol()
7100 v4rholapltau2[2] = 0.0e0; in func_pol()
7103 v4rholapltau2[3] = 0.0e0; in func_pol()
7106 v4rholapltau2[4] = 0.0e0; in func_pol()
7109 v4rholapltau2[5] = 0.0e0; in func_pol()
7112 v4rholapltau2[6] = 0.0e0; in func_pol()
7115 v4rholapltau2[7] = 0.0e0; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c1213 v4rholapltau2[0] = -t1421 * t30; in func_ferr()
2787 v4rholapltau2[1] = 0.0e0; in func_pol()
2790 v4rholapltau2[2] = 0.0e0; in func_pol()
2793 v4rholapltau2[3] = 0.0e0; in func_pol()
2796 v4rholapltau2[4] = 0.0e0; in func_pol()
2799 v4rholapltau2[5] = 0.0e0; in func_pol()
2802 v4rholapltau2[6] = 0.0e0; in func_pol()
2805 v4rholapltau2[7] = 0.0e0; in func_pol()
2808 v4rholapltau2[8] = 0.0e0; in func_pol()
2811 v4rholapltau2[9] = 0.0e0; in func_pol()
[all …]

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