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Searched refs:f_pw (Results 1 – 22 of 22) sorted by relevance

/dports/science/libxc/libxc-5.0.0/maple/gga_exc/
H A Dgga_c_gapc.mpl41 + (2*f_pw(rs, z)*gap_eps_1(rs, par) - gap_C(rs, par)*gap_eps_2(rs, par))
42 / (2*(gap_C(rs, par)*gap_eps_1(rs, par) - f_pw(rs, z)^2)):
45 - (2*gap_eps_1(rs, par)^2 - f_pw(rs, z)*gap_eps_2(rs, par))
46 / (2*(gap_C(rs, par)*gap_eps_1(rs, par) - f_pw(rs, z)^2)):
67 / (gap_c1(rs, z, par) - gap_c2(rs, z, par)*f_pw(rs, z)):
71 + (f_pw(rs, z) + gap_c1(rs, z, par)*gap_G(rs, z, xt, par))
H A Dgga_c_sogga11.mpl24 sogga11_yy := (rs, z, xt) -> -malpha*mphi(z)*xt^2/(rs*f_pw(rs, z)):
33 f_pw(rs, z)*(sogga11_t0(rs, z, xt) + sogga11_t1(rs, z, xt)):
H A Dgga_c_pbe.mpl35 mbeta(rs, t)/(mgamma*(exp(-f_pw(rs, z)/(mgamma*mphi(z)^3)) - 1)):
44 f_pw(rs, z) + fH(rs, z, tp(rs, z, xt)):
H A Dgga_c_pw91.mpl23 A := (rs, z) -> pw91_c2/(exp(-2*pw91_alpha*f_pw(rs, z)/(mphi(z)^3*pw91_beta^2)) - 1):
46 f_pw(rs, z) + H0(rs, z, tt(rs, z, xt)) + H1(rs, z, tt(rs, z, xt)):
H A Dgga_c_bmk.mpl23 b97_f(f_pw, 0.2, params_a_c_ss, 0.006, params_a_c_ab,
H A Dgga_xc_b97.mpl28 + b97_f(f_pw, 0.2, params_a_c_ss, 0.006, params_a_c_ab,
H A Dgga_c_zpbeint.mpl24 f_pw(rs, z) + ff(z, tp(rs, z, xt))*fH(rs, z, tp(rs, z, xt)):
H A Dgga_c_am05.mpl25 f := (rs, z, xt, xs0, xs1) -> f_pw(rs, z)*(
H A Dhyb_gga_xc_wb97.mpl35 b97_f(f_pw, 0.2, params_a_c_ss, 0.006, params_a_c_ab, rs, z, xs0, xs1):
H A Dgga_c_zvpbeint.mpl31 f_pw(rs, z) + zvpbeint_ff(rs, z, tp(rs, z, xt))*fH(rs, z, tp(rs, z, xt)):
/dports/science/libxc/libxc-5.0.0/maple/mgga_exc/
H A Dmgga_c_bc95.mpl28 f_pw(rs, 1)*bc95_gpar(xs0, ts0):
33 + lda_stoll_par(f_pw, rs, z, 1) * bc95_gpar(xs0, ts0)
34 + lda_stoll_par(f_pw, rs, -z, -1) * bc95_gpar(xs1, ts1):
37 lda_stoll_perp(f_pw, rs, z) * bc95_gperp(xs0, xs1):
H A Dmgga_xc_b98.mpl33 + f_pw(rs, 1)
41 + lda_stoll_par(f_pw, rs, z, 1)
43 + lda_stoll_par(f_pw, rs, -z, -1)
45 + lda_stoll_perp(f_pw, rs, z)
H A Dmgga_c_kcis.mpl26 kcis_gga0 := (rs, xt) -> f_pw(rs, 0)/(1 + kcis_beta*log(1 + kcis_t(rs, xt)^2/m_abs(f_pw(rs, 0)))):
29 kcis_gga1 := (rs, xt) -> f_pw(rs, 1)/(1 + kcis_beta*log(1 + 2^(-1/3)*kcis_t(rs, xt)^2/m_abs(f_pw(rs…
H A Dmgga_c_m05.mpl26 + f_pw(rs, 1)
33 + lda_stoll_par(f_pw, rs, z, 1)
42 + lda_stoll_perp(f_pw, rs, z)
H A Dmgga_c_vsxc.mpl25 + f_pw(rs, 1)
32 + lda_stoll_par(f_pw, rs, z, 1)
42 + lda_stoll_perp(f_pw, rs, z)
H A Dmgga_c_m08.mpl28 * f_pw(rs, z)
30 * (f_pbe(rs, z, xt, xs0, xs1) - f_pw(rs, z)):
H A Dmgga_xc_cc06.mpl24 (f_lda_x(rs, z) + f_pw(rs, z))*(1 +
/dports/science/libxc/libxc-5.0.0/maple/
H A Db97mv.mpl27 … + f_pw(rs, 1) * b97mv_g(b97mv_gamma_ss, b97mv_wx_ss, b97mv_par_ss, b97mv_par_n, xs0, ts0, 0):
32 …+ lda_stoll_par(f_pw , rs, z, 1) * b97mv_g(b97mv_gamma_ss, b97mv_wx_ss, b97mv_par_ss, b97mv_p…
33 …+ lda_stoll_par(f_pw , rs, -z, -1) * b97mv_g(b97mv_gamma_ss, b97mv_wx_ss, b97mv_par_ss, b97mv_p…
36 lda_stoll_perp(f_pw, rs, z)
/dports/science/libxc/libxc-5.0.0/maple/lda_exc/
H A Dlda_c_pw.mpl41 f_pw := (rs, zeta) ->
45 f := (rs, zeta) -> f_pw(rs, zeta):
H A Dlda_c_pmgb06.mpl96 + 6*pmgb_b0(rs)^4*f_pw(rs, z):
102 pmgb_b0(rs)^8*pmgb_C2(rs, z) + 4*pmgb_b0(rs)^6*f_pw(rs, z):
105 pmgb_b0(rs)^8*f_pw(rs, z):
H A Dlda_xc_bn05.mpl22 f_lda_x_erf(rs, z) + f_pw(rs, z)*bn05_A/(bn05_C0 + bn05_C1*rs + rs^2):
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dfix_wall_gran_base.h202 double force_old[3]={}, f_pw[3]; variable
347 vectorSubtract3D(f,force_old,f_pw);
350 … vectorAdd3D (wg->fix_wallforce()->array_atom[ip], f_pw, wg->fix_wallforce()->array_atom[ip]);
358 fix_mesh->add_particle_contribution (ip,f_pw,delta,iTri,vwall);