topology_types Module Reference

Data Types
type	atom_info_type
type	connectivity_info_type
type	constr_list_type
type	constraint_info_type
type	topology_parameters_type

Functions/Subroutines
subroutine, public	init_topology (topology)
	Just NULLIFY and zero all the stuff
subroutine, public	deallocate_topology (topology)
	Just DEALLOCATE all the stuff
subroutine, public	pre_read_topology (topology)
	Deallocate possibly allocated arrays before reading topology.

Detailed Description

History

JGH (30.11.2001) : new entries in setup_parameters_type change name from input_file_name to coord_... added topology file added atom_names Teodoro Laino [tlaino] 12.2008 - Preparing for VIRTUAL SITE constraints (patch by Marcel Baer)

Author

CJM & JGH

Function/Subroutine Documentation

init_topology()

subroutine, public topology_types::init_topology

(

type(topology_parameters_type), intent(inout)

topology

)

1. Just NULLIFY and zero all the stuff

Parameters

topology

...

History

none

Definition at line 205 of file topology_types.F.

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deallocate_topology()

subroutine, public topology_types::deallocate_topology

(

type(topology_parameters_type), intent(inout)

topology

)

1. Just DEALLOCATE all the stuff

Parameters

topology

...

History

none

Definition at line 391 of file topology_types.F.

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pre_read_topology()

subroutine, public topology_types::pre_read_topology

(

type(topology_parameters_type), intent(inout)

topology

)

Deallocate possibly allocated arrays before reading topology.

Parameters

topology

...

History

none

Definition at line 761 of file topology_types.F.

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