Documentation for module rel_control_types

parameters that control a relativistic calculation

source: rel_control_types.F
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public Types:

rel_control_type
contains the parameters needed by a relativistic calculation

public Subroutines/Functions:

allocates and initializes an rel control object with the default values
reads the parameters of the relativistic section into the given rel_control
releases the given rel_control (see cp2k/doc/ReferenceCounting.html)
retains the given rel_control (see cp2k/doc/ReferenceCounting.html)

public Types:

TYPE :: rel_control_type

contains the parameters needed by a relativistic calculation


INTEGER
:: rel_method ...
INTEGER
:: rel_dkh_order ...
INTEGER
:: rel_zora_type ...
INTEGER
:: rel_transformation ...
INTEGER
:: rel_z_cutoff ...
INTEGER
:: rel_potential ...
INTEGER
:: ref_count ...

SUBROUTINErel_c_create(rel_control)

allocates and initializes an rel control object with the default values

Arguments:
POINTER
:: rel_control the object to initialize

SUBROUTINErel_c_read_parameters(rel_control, dft_section)

reads the parameters of the relativistic section into the given rel_control

Arguments:
POINTER
:: rel_control the object that wil contain the values read
POINTER
:: dft_section ...

SUBROUTINErel_c_release(rel_control)

releases the given rel_control (see cp2k/doc/ReferenceCounting.html)

Arguments:
POINTER
:: rel_control the object to free

SUBROUTINErel_c_retain(rel_control)

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

Arguments:
POINTER
:: rel_control the object to retain