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Searched refs:v3lapl3 (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c113 assert(v3lapl3 != NULL); in xc_mgga()
136 libxc_memset(v3lapl3, 0, dim->v3lapl3 *np*sizeof(double)); in xc_mgga()
309 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, in xc_mgga_exc_vxc_fxc_kxc() argument
316 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_exc_vxc_fxc_kxc()
335 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, in xc_mgga_vxc_fxc_kxc() argument
342 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_vxc_fxc_kxc()
394 double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, double *v3tau3) in xc_mgga_kxc() argument
400 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_kxc()
H A Dutil.c273 dim->v3lapl3 = dim->v3tau3 = dim->v3rho2lapl = dim->v3rho2tau = dim->v3rholapl2 = 1; in internal_counters_set_mgga()
310 dim->v3lapl3 = 4; in internal_counters_set_mgga()
558 *v3lapl3 += pos*dim->v3lapl3 + offset; in internal_counters_mgga_random()
652 *v3lapl3 += dim->v3lapl3 + offset; in internal_counters_mgga_next()
746 *v3lapl3 -= dim->v3lapl3 + offset; in internal_counters_mgga_prev()
H A Dlibxc_master.F90614 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
679 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
720 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
750 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1316 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1351 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1403 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1422 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1456 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1475 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
[all …]
H A Dxc.h101 P_ v3sigmalapl2, P_ v3sigmalapltau, P_ v3sigmatau2, P_ v3lapl3, \
320 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
337 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
349 double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
H A Dmix_func.c229 v3lapl3_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3lapl3); in xc_mix_func()
377 sum_var(v3lapl3); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901209 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1274 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1315 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1345 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1963 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1998 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
2050 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
2069 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
2103 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
2122 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c193 v3lapl3[0] = 0.0e0; in func_unpol()
508 v3lapl3[0] = 0.0e0; in func_ferr()
1618 v3lapl3[0] = 0.0e0; in func_pol()
1621 v3lapl3[1] = 0.0e0; in func_pol()
1624 v3lapl3[2] = 0.0e0; in func_pol()
1627 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_xc_zlp.c222 v3lapl3[0] = 0.0e0; in func_unpol()
568 v3lapl3[0] = 0.0e0; in func_ferr()
1714 v3lapl3[0] = 0.0e0; in func_pol()
1717 v3lapl3[1] = 0.0e0; in func_pol()
1720 v3lapl3[2] = 0.0e0; in func_pol()
1723 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_gdme.c208 v3lapl3[0] = 0.0e0; in func_unpol()
537 v3lapl3[0] = 0.0e0; in func_ferr()
1959 v3lapl3[0] = 0.0e0; in func_pol()
1962 v3lapl3[1] = 0.0e0; in func_pol()
1965 v3lapl3[2] = 0.0e0; in func_pol()
1968 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_lta.c206 v3lapl3[0] = 0.0e0; in func_unpol()
536 v3lapl3[0] = 0.0e0; in func_ferr()
1949 v3lapl3[0] = 0.0e0; in func_pol()
1952 v3lapl3[1] = 0.0e0; in func_pol()
1955 v3lapl3[2] = 0.0e0; in func_pol()
1958 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_rlda.c272 v3lapl3[0] = -0.3e1 / 0.16e2 * t40 * t275; in func_unpol()
700 v3lapl3[0] = -0.3e1 / 0.8e1 * t34 * t264; in func_ferr()
2211 v3lapl3[0] = -0.3e1 / 0.8e1 * t145 * t1268; in func_pol()
2214 v3lapl3[1] = 0.0e0; in func_pol()
2217 v3lapl3[2] = 0.0e0; in func_pol()
2225 v3lapl3[3] = -0.3e1 / 0.8e1 * t145 * t1278; in func_pol()
H A Dmgga_c_cs.c231 v3lapl3[0] = 0.0e0; in func_unpol()
492 v3lapl3[0] = 0.0e0; in func_ferr()
2084 v3lapl3[0] = 0.0e0; in func_pol()
2087 v3lapl3[1] = 0.0e0; in func_pol()
2090 v3lapl3[2] = 0.0e0; in func_pol()
2093 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_2d_js17.c278 v3lapl3[0] = 0.0e0; in func_unpol()
689 v3lapl3[0] = 0.0e0; in func_ferr()
2263 v3lapl3[0] = 0.0e0; in func_pol()
2266 v3lapl3[1] = 0.0e0; in func_pol()
2269 v3lapl3[2] = 0.0e0; in func_pol()
2272 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_gvt4.c417 v3lapl3[0] = 0.0e0; in func_unpol()
1016 v3lapl3[0] = 0.0e0; in func_ferr()
2834 v3lapl3[0] = 0.0e0; in func_pol()
2837 v3lapl3[1] = 0.0e0; in func_pol()
2840 v3lapl3[2] = 0.0e0; in func_pol()
2843 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_pkzb.c354 v3lapl3[0] = 0.0e0; in func_unpol()
843 v3lapl3[0] = 0.0e0; in func_ferr()
2719 v3lapl3[0] = 0.0e0; in func_pol()
2722 v3lapl3[1] = 0.0e0; in func_pol()
2725 v3lapl3[2] = 0.0e0; in func_pol()
2728 v3lapl3[3] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_dldf.c370 v3lapl3[0] = 0.0e0; in func_unpol()
870 v3lapl3[0] = 0.0e0; in func_ferr()
2904 v3lapl3[0] = 0.0e0; in func_pol()
2907 v3lapl3[1] = 0.0e0; in func_pol()
2910 v3lapl3[2] = 0.0e0; in func_pol()
2913 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_xc_cc06.c325 v3lapl3[0] = t89 * t413; in func_unpol()
790 v3lapl3[0] = t86 * t410; in func_ferr()
2674 v3lapl3[0] = t232 * t2290; in func_pol()
2681 v3lapl3[1] = t232 * t2299; in func_pol()
2689 v3lapl3[2] = t232 * t2309; in func_pol()
2698 v3lapl3[3] = t232 * t2319; in func_pol()
H A Dmgga_x_tau_hcth.c460 v3lapl3[0] = 0.0e0; in func_unpol()
1091 v3lapl3[0] = 0.0e0; in func_ferr()
3020 v3lapl3[0] = 0.0e0; in func_pol()
3023 v3lapl3[1] = 0.0e0; in func_pol()
3026 v3lapl3[2] = 0.0e0; in func_pol()
3029 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_gx.c814 v3lapl3[0] = 0.0e0; in func_unpol()
1938 v3lapl3[0] = 0.0e0; in func_ferr()
4565 v3lapl3[0] = 0.0e0; in func_pol()
4568 v3lapl3[1] = 0.0e0; in func_pol()
4571 v3lapl3[2] = 0.0e0; in func_pol()
4574 v3lapl3[3] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_m05.c707 v3lapl3[0] = 0.0e0; in func_unpol()
1743 v3lapl3[0] = 0.0e0; in func_ferr()
4636 v3lapl3[0] = 0.0e0; in func_pol()
4639 v3lapl3[1] = 0.0e0; in func_pol()
4642 v3lapl3[2] = 0.0e0; in func_pol()
4645 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_mvs.c644 v3lapl3[0] = 0.0e0; in func_unpol()
1516 v3lapl3[0] = 0.0e0; in func_ferr()
4452 v3lapl3[0] = 0.0e0; in func_pol()
4455 v3lapl3[1] = 0.0e0; in func_pol()
4458 v3lapl3[2] = 0.0e0; in func_pol()
4461 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_pbe_gx.c877 v3lapl3[0] = 0.0e0; in func_unpol()
2046 v3lapl3[0] = 0.0e0; in func_ferr()
5357 v3lapl3[0] = 0.0e0; in func_pol()
5360 v3lapl3[1] = 0.0e0; in func_pol()
5363 v3lapl3[2] = 0.0e0; in func_pol()
5366 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_m06l.c930 v3lapl3[0] = 0.0e0; in func_unpol()
2269 v3lapl3[0] = 0.0e0; in func_ferr()
5373 v3lapl3[0] = 0.0e0; in func_pol()
5376 v3lapl3[1] = 0.0e0; in func_pol()
5379 v3lapl3[2] = 0.0e0; in func_pol()
5382 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_mvsb.c802 v3lapl3[0] = 0.0e0; in func_unpol()
1898 v3lapl3[0] = 0.0e0; in func_ferr()
5245 v3lapl3[0] = 0.0e0; in func_pol()
5248 v3lapl3[1] = 0.0e0; in func_pol()
5251 v3lapl3[2] = 0.0e0; in func_pol()
5254 v3lapl3[3] = 0.0e0; in func_pol()
H A Dmgga_x_ms.c912 v3lapl3[0] = 0.0e0; in func_unpol()
2251 v3lapl3[0] = 0.0e0; in func_ferr()
5270 v3lapl3[0] = 0.0e0; in func_pol()
5273 v3lapl3[1] = 0.0e0; in func_pol()
5276 v3lapl3[2] = 0.0e0; in func_pol()
5279 v3lapl3[3] = 0.0e0; in func_pol()

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