tmc_tree_types Module Reference

module handles definition of the tree nodes for the global and More...

Data Types
type	tree_type
type	gt_elem_list_type
type	elem_list_type
type	elem_array_type
type	global_tree_type

Functions/Subroutines
subroutine, public	add_to_list (elem, list, temp_ind, nr)
	add a certain element to the specified element list at the beginning
subroutine, public	clean_list (list)
	clean a certain element element list
subroutine, public	write_subtree_elem_unformated (elem, io_unit)
	prints out the TMC sub tree structure element unformated in file
subroutine, public	read_subtree_elem_unformated (elem, io_unit)
	reads the TMC sub tree structure element unformated in file

Variables
integer, parameter, public	status_created = 100
integer, parameter, public	status_calculate_energy = 101
integer, parameter, public	status_calc_approx_ener = 102
integer, parameter, public	status_calculate_nmc_steps = 111
integer, parameter, public	status_calculate_md = 112
integer, parameter, public	status_calculated = 113
integer, parameter, public	status_accepted_result = 123
integer, parameter, public	status_accepted = 122
integer, parameter, public	status_rejected = 121
integer, parameter, public	status_rejected_result = 120
integer, parameter, public	status_cancel_nmc = 133
integer, parameter, public	status_cancel_ener = 132
integer, parameter, public	status_canceled_nmc = 131
integer, parameter, public	status_canceled_ener = 130
integer, parameter, public	status_deleted = 140
integer, parameter, public	status_deleted_result = 141
integer, parameter, public	status_ok = 42
integer, parameter, public	status_frozen = -1
integer, parameter, public	status_proton_disorder = 1

Detailed Description

module handles definition of the tree nodes for the global and

the subtrees binary tree

| parent element | | / \ | | accepted (acc) / \ not accepted (nacc) | | / \ | | child child | | / \ / \ |

| ... |

tree creation assuming acceptance (acc) AND rejectance (nacc) of configuration if configuration is accepted: new configuration (child on acc) on basis of last configuration (one level up) if configuration is rejected: child on nacc on basis of last accepted element (last element which is on acc brach of its parent element) The global tree handles all configurations of different subtrees. The structure element "conf" is an array related to the temperature (sorted) and points to the subtree elements.

History

11.2012 created [Mandes Schoenherr]

Author

Mandes

Function/Subroutine Documentation

add_to_list()

subroutine, public tmc_tree_types::add_to_list	(	type(tree_type), pointer	elem,
		type(elem_list_type), pointer	list,
		integer, optional	temp_ind,
		integer, optional	nr )

add a certain element to the specified element list at the beginning

Parameters

elem	the sub tree element, to be added
list	...
temp_ind	...
nr	...

Author

Mandes 11.2012

Definition at line 181 of file tmc_tree_types.F.

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clean_list()

subroutine, public tmc_tree_types::clean_list

(

type(elem_list_type), pointer

list

)

clean a certain element element list

Parameters

list

...

Author

Mandes 11.2012

Definition at line 224 of file tmc_tree_types.F.

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write_subtree_elem_unformated()

subroutine, public tmc_tree_types::write_subtree_elem_unformated	(	type(tree_type), pointer	elem,
		integer	io_unit )

prints out the TMC sub tree structure element unformated in file

Parameters

elem	...
io_unit	...

author Mandes 11.2012

Definition at line 245 of file tmc_tree_types.F.

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read_subtree_elem_unformated()

subroutine, public tmc_tree_types::read_subtree_elem_unformated	(	type(tree_type), pointer	elem,
		integer	io_unit )

reads the TMC sub tree structure element unformated in file

Parameters

elem	...
io_unit	...

author Mandes 11.2012

Definition at line 275 of file tmc_tree_types.F.

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Variable Documentation

status_created

integer, parameter, public tmc_tree_types::status_created = 100

Definition at line 50 of file tmc_tree_types.F.

status_calculate_energy

integer, parameter, public tmc_tree_types::status_calculate_energy = 101

Definition at line 51 of file tmc_tree_types.F.

status_calc_approx_ener

integer, parameter, public tmc_tree_types::status_calc_approx_ener = 102

Definition at line 52 of file tmc_tree_types.F.

status_calculate_nmc_steps

integer, parameter, public tmc_tree_types::status_calculate_nmc_steps = 111

Definition at line 54 of file tmc_tree_types.F.

status_calculate_md

integer, parameter, public tmc_tree_types::status_calculate_md = 112

Definition at line 55 of file tmc_tree_types.F.

status_calculated

integer, parameter, public tmc_tree_types::status_calculated = 113

Definition at line 56 of file tmc_tree_types.F.

status_accepted_result

integer, parameter, public tmc_tree_types::status_accepted_result = 123

Definition at line 58 of file tmc_tree_types.F.

status_accepted

integer, parameter, public tmc_tree_types::status_accepted = 122

Definition at line 59 of file tmc_tree_types.F.

status_rejected

integer, parameter, public tmc_tree_types::status_rejected = 121

Definition at line 60 of file tmc_tree_types.F.

status_rejected_result

integer, parameter, public tmc_tree_types::status_rejected_result = 120

Definition at line 61 of file tmc_tree_types.F.

status_cancel_nmc

integer, parameter, public tmc_tree_types::status_cancel_nmc = 133

Definition at line 63 of file tmc_tree_types.F.

status_cancel_ener

integer, parameter, public tmc_tree_types::status_cancel_ener = 132

Definition at line 64 of file tmc_tree_types.F.

status_canceled_nmc

integer, parameter, public tmc_tree_types::status_canceled_nmc = 131

Definition at line 65 of file tmc_tree_types.F.

status_canceled_ener

integer, parameter, public tmc_tree_types::status_canceled_ener = 130

Definition at line 66 of file tmc_tree_types.F.

status_deleted

integer, parameter, public tmc_tree_types::status_deleted = 140

Definition at line 68 of file tmc_tree_types.F.

status_deleted_result

integer, parameter, public tmc_tree_types::status_deleted_result = 141

Definition at line 69 of file tmc_tree_types.F.

status_ok

integer, parameter, public tmc_tree_types::status_ok = 42

Definition at line 72 of file tmc_tree_types.F.

status_frozen

integer, parameter, public tmc_tree_types::status_frozen = -1

Definition at line 73 of file tmc_tree_types.F.

status_proton_disorder

integer, parameter, public tmc_tree_types::status_proton_disorder = 1

Definition at line 74 of file tmc_tree_types.F.