Documentation for module input_cp2k_mm

creates the mm section of the input

source: input_cp2k_mm.F
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public Subroutines/Functions:

This section specifies the charge of the MM atoms
creates the input section for the qs part
This section specifies the input parameters for a generic potential form
This section specifies the input parameters for Goodwin potential type
This section specifies the input parameters for Lennard-Jones potential type
Create the input section for FIST.. Come on.. Let's get woohooo
This section specifies the input parameters for generation of neighbor lists
This section specifies the input parameters for 1-4 NON-BONDED Interactions
This section specifies the input parameters for Williams potential type

SUBROUTINEcreate_charge_section(section)

This section specifies the charge of the MM atoms

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_dipoles_section(print_key, label, print_level)

creates the input section for the qs part

Arguments:
POINTER
:: print_key ...
CHARACTER(*),
INTENT(in)
:: label ...
INTEGER,
INTENT(in)
:: print_level ...

SUBROUTINEcreate_genpot_section(section)

This section specifies the input parameters for a generic potential form

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_goodwin_section(section)

This section specifies the input parameters for Goodwin potential type

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_lj_section(section)

This section specifies the input parameters for Lennard-Jones potential type

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_mm_section(section)

Create the input section for FIST.. Come on.. Let's get woohooo

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_neighbor_lists_section(section)

This section specifies the input parameters for generation of neighbor lists

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_nonbonded14_section(section)

This section specifies the input parameters for 1-4 NON-BONDED Interactions

Arguments:
POINTER
:: section the section to create

SUBROUTINEcreate_williams_section(section)

This section specifies the input parameters for Williams potential type

Arguments:
POINTER
:: section the section to create