| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_rho0_types.F | 45 REAL(dp), DIMENSION(:, :), POINTER :: g0_h, vg0_h component
125 NULLIFY (mp_gau(ikind)%g0_h)
239 CALL reallocate(rho0_mpole%mp_gau(ik)%g0_h, 1, nr, 0, lmax)
255 rho0_mpole%mp_gau(ik)%g0_h(1:nr, 0) = gh_tmp(1:nr)* &
270 rho0_mpole%mp_gau(ik)%g0_h(1:nr, l) = gh_tmp(1:nr)* &
306 DEALLOCATE (mp_gau(ikind)%g0_h)
444 SUBROUTINE get_rho0_mpole(rho0_mpole, g0_h, vg0_h, iat, ikind, lmax_0, l0_ikind, & argument
451 REAL(dp), DIMENSION(:, :), OPTIONAL, POINTER :: g0_h, vg0_h local
481 IF (PRESENT(g0_h)) g0_h => rho0_mpole%mp_gau(ikind)%g0_h
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| H A D | qs_rho0_methods.F | 196 REAL(dp), DIMENSION(:, :), POINTER :: g0_h, vg0_h local
208 NULLIFY (g0_h, vg0_h, g_atom)
213 g0_h=g0_h, &
282 g0_h(1:nr, l)*mpole_rho%Qlm_tot(iso)
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| H A D | hartree_local_methods.F | 235 REAL(dp), DIMENSION(:, :), POINTER :: g0_h, gsph, rrad_0, Vh1_h, Vh1_s, & local
340 NULLIFY (Qlm_gg, g0_h)
343 Qlm_gg=Qlm_gg, g0_h=g0_h)
360 g0_h_w(1:nr, l_ang) = g0_h(1:nr, l_ang)*grid_atom%wr(1:nr)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_rho0_types.F | 45 REAL(dp), DIMENSION(:, :), POINTER :: g0_h, vg0_h component
125 NULLIFY (mp_gau(ikind)%g0_h)
239 CALL reallocate(rho0_mpole%mp_gau(ik)%g0_h, 1, nr, 0, lmax)
255 rho0_mpole%mp_gau(ik)%g0_h(1:nr, 0) = gh_tmp(1:nr)* &
270 rho0_mpole%mp_gau(ik)%g0_h(1:nr, l) = gh_tmp(1:nr)* &
306 DEALLOCATE (mp_gau(ikind)%g0_h)
444 SUBROUTINE get_rho0_mpole(rho0_mpole, g0_h, vg0_h, iat, ikind, lmax_0, l0_ikind, & argument
451 REAL(dp), DIMENSION(:, :), OPTIONAL, POINTER :: g0_h, vg0_h local
481 IF (PRESENT(g0_h)) g0_h => rho0_mpole%mp_gau(ikind)%g0_h
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| H A D | qs_rho0_methods.F | 205 REAL(dp), DIMENSION(:, :), POINTER :: g0_h, vg0_h local
215 NULLIFY (g0_h, vg0_h)
220 g0_h=g0_h, &
287 g0_h(1:nr, l)*mpole_rho%Qlm_tot(iso)
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| H A D | hartree_local_methods.F | 232 REAL(dp), DIMENSION(:, :), POINTER :: g0_h, gsph, rrad_0, Vh1_h, Vh1_s, & local
352 NULLIFY (Qlm_gg, g0_h)
355 Qlm_gg=Qlm_gg, g0_h=g0_h)
372 g0_h_w(1:nr, l_ang) = g0_h(1:nr, l_ang)*grid_atom%wr(1:nr)
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