Searched refs:vg0_h (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_rho0_types.F | 45 REAL(dp), DIMENSION(:, :), POINTER :: g0_h, vg0_h component
126 NULLIFY (mp_gau(ikind)%vg0_h)
240 CALL reallocate(rho0_mpole%mp_gau(ik)%vg0_h, 1, nr, 0, lmax)
265 rho0_mpole%mp_gau(ik)%vg0_h(ir, 0) = c1*erf_z_h(ir)*grid_atom%oorad2l(ir, 1)
276 rho0_mpole%mp_gau(ik)%vg0_h(ir, l) = prefactor*(int1(ir) + &
308 DEALLOCATE (mp_gau(ikind)%vg0_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
482 IF (PRESENT(vg0_h)) vg0_h => rho0_mpole%mp_gau(ikind)%vg0_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)
214 vg0_h=vg0_h, &
284 vg0_h(1:nr, l)*mpole_rho%Qlm_tot(iso)
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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
126 NULLIFY (mp_gau(ikind)%vg0_h)
240 CALL reallocate(rho0_mpole%mp_gau(ik)%vg0_h, 1, nr, 0, lmax)
265 rho0_mpole%mp_gau(ik)%vg0_h(ir, 0) = c1*erf_z_h(ir)*grid_atom%oorad2l(ir, 1)
276 rho0_mpole%mp_gau(ik)%vg0_h(ir, l) = prefactor*(int1(ir) + &
308 DEALLOCATE (mp_gau(ikind)%vg0_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
482 IF (PRESENT(vg0_h)) vg0_h => rho0_mpole%mp_gau(ikind)%vg0_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)
221 vg0_h=vg0_h, &
289 vg0_h(1:nr, l)*mpole_rho%Qlm_tot(iso)
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