tree nodes creation, deallocation, references etc. More...

Functions/Subroutines
subroutine, public	allocate_new_sub_tree_node (tmc_params, next_el, nr_dim)
	allocates an elements of the subtree element structure More...

subroutine, public	deallocate_sub_tree_node (tree_elem)
	deallocates an elements of the subtree element structure More...

subroutine, public	init_tree_mod (start_elem, tmc_env, job_counts, worker_timings)
	routine initiate the global and subtrees with the first elements More...

subroutine, public	finalize_init (gt_tree_ptr, tmc_env)
	distributes the initial energy to all subtree (if no restart) and call analysis for this element (write trajectory...) More...

subroutine, public	create_new_gt_tree_node (tmc_env, stat, new_elem, reactivation_cc_count)
	creates new global tree element and if needed new subtree element More...

recursive subroutine, public	remove_unused_g_tree (begin_ptr, end_ptr, removed, tmc_env)
	deletes the no more used global tree nodes beside the result nodes from begin_ptr to end_ptr More...

subroutine, public	remove_all_trees (working_elem_list, tmc_env)
	deallocates the no more used tree nodes beside the result nodes from begin_ptr to end_ptr in global and subtrees More...

subroutine, public	finalize_trees (tmc_env)
	deallocating every tree node of every trees (clean up) More...

Detailed Description

tree nodes creation, deallocation, references etc.

we distinguish two kinds of tree nodes: global and sub tree nodes (because we also are able to do parallel tempering)
global tree nodes consists of pointers to sub tree nodes
sub tree nodes consists of position arrays, potential energy, etc.
furthermore the sub tree elements have references the all global tree elements referring to them
for tree element details see tree_types.F
for creating we always start with the global tree element (if not already exist)
for each new global tree element (depending on the move type):
- two sub tree elements are swapped (Parallel Tempering) (in global tree element creation)
- the volume of a subtree element is changed (directly in sub tree element creation)
- positions in one subtree element changes (in sub tree elem creation or NMC)
- ...
sub tree elements will be deleted only if no reference to any global tree element exist anymore
History
11.2012 created [Mandes Schoenherr]

Author
Mandes

Function/Subroutine Documentation

◆ allocate_new_sub_tree_node()

subroutine, public tmc_tree_build::allocate_new_sub_tree_node	(	type(tmc_param_type), pointer	tmc_params,
		type(tree_type), pointer	next_el,
		integer	nr_dim
	)

allocates an elements of the subtree element structure

Parameters

tmc_params	structure for storing all (global) parameters
next_el	...
nr_dim	...

Author: Mandes 11.2012

Definition at line 159 of file tmc_tree_build.F.

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◆ deallocate_sub_tree_node()

subroutine, public tmc_tree_build::deallocate_sub_tree_node ( type(tree_type), pointer tree_elem )

deallocates an elements of the subtree element structure

Parameters

tree_elem ...

Author: Mandes 11.2012

Definition at line 219 of file tmc_tree_build.F.

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◆ init_tree_mod()

subroutine, public tmc_tree_build::init_tree_mod	(	type(tree_type), pointer	start_elem,
		type(tmc_env_type), pointer	tmc_env,
		integer, dimension(:)	job_counts,
		real(kind=dp), dimension(4)	worker_timings
	)

routine initiate the global and subtrees with the first elements

Parameters

start_elem	...
tmc_env	structure for storing all (global) parameters
job_counts	...
worker_timings	...

Author: Mandes 11.2012

Definition at line 262 of file tmc_tree_build.F.

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◆ finalize_init()

subroutine, public tmc_tree_build::finalize_init	(	type(global_tree_type), pointer	gt_tree_ptr,
		type(tmc_env_type), pointer	tmc_env
	)

distributes the initial energy to all subtree (if no restart) and call analysis for this element (write trajectory...)

Parameters

gt_tree_ptr	global tree head (initial configuration)
tmc_env	master environment for restart (if restart the subtree heads are not equal), result counts and lists

Author: Mandes 12.2012

Definition at line 422 of file tmc_tree_build.F.

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◆ create_new_gt_tree_node()

subroutine, public tmc_tree_build::create_new_gt_tree_node	(	type(tmc_env_type), pointer	tmc_env,
		integer, intent(out)	stat,
		type(global_tree_type), intent(out), pointer	new_elem,
		integer	reactivation_cc_count
	)

creates new global tree element and if needed new subtree element

Parameters

tmc_env	TMC environment with parameters and pointers to gt element
stat	return status value
new_elem	return gt element
reactivation_cc_count	counting the reactivation of subtree elements

Author: Mandes 12.2012

Definition at line 486 of file tmc_tree_build.F.

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◆ remove_unused_g_tree()

recursive subroutine, public tmc_tree_build::remove_unused_g_tree	(	type(global_tree_type), pointer	begin_ptr,
		type(global_tree_type), pointer	end_ptr,
		logical	removed,
		type(tmc_env_type), pointer	tmc_env
	)

deletes the no more used global tree nodes beside the result nodes from begin_ptr to end_ptr

Parameters

begin_ptr	start of the tree region to be cleaned
end_ptr	end of the tree region to be cleaned
removed	retun value if brance is clean
tmc_env	tmc environment

Author: Mandes 12.2012

Definition at line 1128 of file tmc_tree_build.F.

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◆ remove_all_trees()

subroutine, public tmc_tree_build::remove_all_trees	(	type(elem_array_type), dimension(:), pointer	working_elem_list,
		type(tmc_env_type), pointer	tmc_env
	)

deallocates the no more used tree nodes beside the result nodes from begin_ptr to end_ptr in global and subtrees

Parameters

working_elem_list	list of actual calculating elements for canceling
tmc_env	TMC environment

Author: Mandes 12.2012

Definition at line 1410 of file tmc_tree_build.F.

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◆ finalize_trees()

subroutine, public tmc_tree_build::finalize_trees ( type(tmc_env_type), pointer tmc_env )

deallocating every tree node of every trees (clean up)

Parameters

tmc_env TMC environment structure

Author: Mandes 01.2013

Definition at line 1582 of file tmc_tree_build.F.

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Functions/Subroutines

Detailed Description

Function/Subroutine Documentation

◆ allocate_new_sub_tree_node()

◆ deallocate_sub_tree_node()

◆ init_tree_mod()

◆ finalize_init()

◆ create_new_gt_tree_node()

◆ remove_unused_g_tree()

◆ remove_all_trees()

◆ finalize_trees()