Documentation for module qs_local_rho_types

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source: qs_local_rho_types.F
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public Types:

rhoz_type
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local_rho_type
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public Subroutines/Functions:

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public Types:

TYPE :: local_rho_type

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DIMENSION(:), POINTER :: rho_atom_set ...
POINTER :: rho0_mpole ...
DIMENSION(:), POINTER :: rho0_atom_set ...
TYPE(rhoz_type),
DIMENSION(:), POINTER :: rhoz_set ...
REAL(dp)
:: rhoz_tot ...

TYPE :: rhoz_type

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REAL(dp)
:: one_atom ...
REAL(dp),
DIMENSION(:), POINTER :: r_coef ...
REAL(dp),
DIMENSION(:), POINTER :: dr_coef ...
REAL(dp),
DIMENSION(:), POINTER :: vr_coef ...

SUBROUTINEallocate_rhoz(rhoz_set, nkind)

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Arguments:
TYPE(rhoz_type),
POINTER
:: rhoz_set(:) ...
INTEGER
:: nkind ...

SUBROUTINEcalculate_rhoz(rhoz, grid_atom, alpha, zeff, natom, rhoz_tot, harmonics)

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Arguments:
TYPE(rhoz_type)
:: rhoz ...
:: grid_atom ...
REAL(dp),
INTENT(in)
:: alpha ...
REAL(dp)
:: zeff ...
INTEGER
:: natom ...
REAL(dp),
INTENT(inout)
:: rhoz_tot ...
:: harmonics ...

SUBROUTINEget_local_rho(local_rho_set, rho_atom_set, rho0_atom_set, rho0_mpole, rhoz_set)

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Arguments:
POINTER
:: local_rho_set ...
OPTIONAL, POINTER
:: rho_atom_set(:) ...
OPTIONAL, POINTER
:: rho0_atom_set(:) ...
OPTIONAL, POINTER
:: rho0_mpole ...
TYPE(rhoz_type),
OPTIONAL, POINTER
:: rhoz_set(:) ...

SUBROUTINElocal_rho_set_create(local_rho_set)

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Arguments:
POINTER
:: local_rho_set ...

SUBROUTINElocal_rho_set_release(local_rho_set)

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Arguments:
POINTER
:: local_rho_set ...

SUBROUTINEset_local_rho(local_rho_set, rho_atom_set, rho0_atom_set, rho0_mpole, rhoz_set)

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Arguments:
POINTER
:: local_rho_set ...
OPTIONAL, POINTER
:: rho_atom_set(:) ...
OPTIONAL, POINTER
:: rho0_atom_set(:) ...
OPTIONAL, POINTER
:: rho0_mpole ...
TYPE(rhoz_type),
OPTIONAL, POINTER
:: rhoz_set(:) ...