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qs_rho0_methods Module Reference

Functions/Subroutines

subroutine, public calculate_rho0_atom (gapw_control, rho_atom_set, rhoz_cneo_set, rho0_atom_set, rho0_mp, a_list, natom, ikind, qs_kind, rho0_h_tot)
 ...
subroutine, public init_rho0 (local_rho_set, qs_env, gapw_control, zcore)
 ...

Function/Subroutine Documentation

◆ calculate_rho0_atom()

subroutine, public qs_rho0_methods::calculate_rho0_atom ( type(gapw_control_type), pointer gapw_control,
type(rho_atom_type), dimension(:), pointer rho_atom_set,
type(rhoz_cneo_type), dimension(:), pointer rhoz_cneo_set,
type(rho0_atom_type), dimension(:), pointer rho0_atom_set,
type(rho0_mpole_type), pointer rho0_mp,
integer, dimension(:), intent(in) a_list,
integer, intent(in) natom,
integer, intent(in) ikind,
type(qs_kind_type), intent(in) qs_kind,
real(kind=dp), intent(inout) rho0_h_tot )

...

Parameters
gapw_control...
rho_atom_set...
rhoz_cneo_set...
rho0_atom_set...
rho0_mp...
a_list...
natom...
ikind...
qs_kind...
rho0_h_tot...

Definition at line 182 of file qs_rho0_methods.F.

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◆ init_rho0()

subroutine, public qs_rho0_methods::init_rho0 ( type(local_rho_type), pointer local_rho_set,
type(qs_environment_type), pointer qs_env,
type(gapw_control_type), pointer gapw_control,
real(kind=dp), intent(in), optional zcore )

...

Parameters
local_rho_set...
qs_env...
gapw_control...
zcore...

Definition at line 419 of file qs_rho0_methods.F.

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