Documentation for module input_cp2k_subsys

builds the subsystem section of the input

source: input_cp2k_subsys.F
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public Subroutines/Functions:

Creates the &BASIS section
SUBROUTINE RECURSIVE
create_cell_section (section, periodic, label)
creates the cell section
Creates the random number restart section
creates structure data section for output.. both subsys (for initialization) and motion section..
creates the structure of a subsys, i.e. a full set of atoms+mol+bounds+cell

SUBROUTINEcreate_basis_section(section)

Creates the &BASIS section

Arguments:
POINTER
:: section the section to create

RECURSIVE SUBROUTINEcreate_cell_section(section, periodic, label)

creates the cell section

Arguments:
POINTER
:: section ...
INTEGER,
INTENT(in),
OPTIONAL
:: periodic ...
CHARACTER(*),
OPTIONAL
:: label ...

SUBROUTINEcreate_rng_section(section)

Creates the random number restart section

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_structure_data_section(print_key)

creates structure data section for output.. both subsys (for initialization) and motion section..

Arguments:
POINTER
:: print_key ...

SUBROUTINEcreate_subsys_section(section)

creates the structure of a subsys, i.e. a full set of atoms+mol+bounds+cell

Arguments:
POINTER
:: section the section to create