Documentation for module qs_charges_types

container for information about total charges on the grids

source: qs_charges_types.F
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public Types:

qs_charges_type
Container for information about total charges on the grids

public Subroutines/Functions:

creates a charges object
releases the charges object (see cp2k/doc/ReferenceCounting.html)
retains the given qs_charges (see cp2k/doc/ReferenceCounting.html)

public Types:

TYPE :: qs_charges_type

Container for information about total charges on the grids


INTEGER
:: ref_count ...
REAL(dp)
:: total_rho_core_rspace total charge on the rho_core grid
REAL(dp)
:: total_rho_gspace total charge in the g space
REAL(dp)
:: total_rho0_soft_rspace ...
REAL(dp)
:: total_rho0_hard_lebedev ...
REAL(dp)
:: total_rho_soft_gspace ...
REAL(dp),
DIMENSION(:), POINTER :: total_rho1_hard ...
REAL(dp),
DIMENSION(:), POINTER :: total_rho1_soft ...
REAL(dp)
:: background ...

SUBROUTINEqs_charges_create(qs_charges, nspins, total_rho_core_rspace, total_rho_gspace)

creates a charges object

Arguments:
POINTER
:: qs_charges the charges object to create
INTEGER,
INTENT(in)
:: nspins ...
REAL(dp),
INTENT(in),
OPTIONAL
:: total_rho_core_rspace ...
REAL(dp),
INTENT(in),
OPTIONAL
:: total_rho_gspace ...

SUBROUTINEqs_charges_release(qs_charges)

releases the charges object (see cp2k/doc/ReferenceCounting.html)

Arguments:
POINTER
:: qs_charges the object to be released

SUBROUTINEqs_charges_retain(qs_charges)

retains the given qs_charges (see cp2k/doc/ReferenceCounting.html)

Arguments:
POINTER
:: qs_charges the object to retain