Documentation for module dg_rho0_types

...

source: dg_rho0_types.F
Loading...

public Types:

dg_rho0_type
Type for Gaussian Densities type = type of gaussian (PME) grid = grid number gcc = Gaussian contraction coefficient zet = Gaussian exponent

public Subroutines/Functions:

SUBROUTINE
dg_rho0_create (dg_rho0)
create the dg_rho0 structure
Get the dg_rho0_type
...
releases the given dg_rho0_type
SUBROUTINE
dg_rho0_retain (dg_rho0)
retains the given dg_rho0_type
Set the dg_rho0_type

public Types:

TYPE :: dg_rho0_type

Type for Gaussian Densities type = type of gaussian (PME) grid = grid number gcc = Gaussian contraction coefficient zet = Gaussian exponent


INTEGER
:: ref_count ...
INTEGER
:: id_nr ...
INTEGER
:: type ...
INTEGER
:: grid ...
INTEGER
:: kind ...
REAL(dp)
:: cutoff_radius ...
REAL(dp),
DIMENSION(:), POINTER :: gcc ...
REAL(dp),
DIMENSION(:), POINTER :: zet ...
TYPE(pw_p_type)
:: density ...

SUBROUTINEdg_rho0_create(dg_rho0)

create the dg_rho0 structure

Arguments:
POINTER
:: dg_rho0 ...

SUBROUTINEdg_rho0_get(dg_rho0, cutoff_radius, type, grid, kind, gcc, zet, density)

Get the dg_rho0_type

Arguments:
POINTER
:: dg_rho0 ...
REAL(dp),
OPTIONAL
:: cutoff_radius ...
INTEGER,
OPTIONAL
:: type ...
INTEGER,
OPTIONAL
:: grid ...
INTEGER,
OPTIONAL
:: kind ...
REAL(dp),
OPTIONAL, POINTER
:: gcc(:) ...
REAL(dp),
OPTIONAL, POINTER
:: zet(:) ...
TYPE(pw_p_type),
OPTIONAL, POINTER
:: density ...

SUBROUTINEdg_rho0_init(dg_rho0, pw_grid)

...

Arguments:
POINTER
:: dg_rho0 ...
POINTER
:: pw_grid ...

SUBROUTINEdg_rho0_release(dg_rho0)

releases the given dg_rho0_type

Arguments:
POINTER
:: dg_rho0 the dg_rho0_type to release

SUBROUTINEdg_rho0_retain(dg_rho0)

retains the given dg_rho0_type

Arguments:
POINTER
:: dg_rho0 the dg_rho0_type to retain

SUBROUTINEdg_rho0_set(dg_rho0, type, grid, kind, cutoff_radius, gcc, zet, density)

Set the dg_rho0_type

Arguments:
POINTER
:: dg_rho0 ...
INTEGER,
OPTIONAL
:: type ...
INTEGER,
OPTIONAL
:: grid ...
INTEGER,
OPTIONAL
:: kind ...
REAL(dp),
OPTIONAL
:: cutoff_radius ...
REAL(dp),
OPTIONAL, POINTER
:: gcc(:) ...
REAL(dp),
OPTIONAL, POINTER
:: zet(:) ...
TYPE(pw_p_type),
OPTIONAL
:: density ...