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(git:6344619)
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(git:6344619)
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tree nodes search etc. More...
Functions/Subroutines | |
| recursive subroutine, public | most_prob_end (global_tree_elem, prob, n_acc, search_energy_node) |
| search most probable end in global tree to create a new tree node using the acceptance probabilities for each move type of each temperature routine distinguishes the search for most probable node for energy and most probable node with open end for new configuration In case of searching open end: routine stops in branch with canceled NMC, using this a one possibility | |
| subroutine, public | search_next_energy_calc (gt_head, new_gt_elem, stat, react_count) |
| gt_head head of the global tree | |
| recursive type(tree_type) function, pointer, public | search_parent_element (current) |
| searching the parent element (last accepted configuration before) | |
| recursive subroutine, public | search_next_gt_element_to_check (ptr, found) |
| search the next global element in the Markov Chain to check | |
| subroutine, public | get_subtree_elements_to_check (gt_act_elem, elem1, elem2) |
| get the changed element of the actual global tree element and its related last accepted parent | |
| recursive subroutine, public | search_end_of_clean_g_tree (last_acc, tree_ptr) |
| searches last element on trajectory, until where the sides of the tree are deleted (of global tree) also found the last accepted element before | |
| recursive subroutine, public | search_end_of_clean_tree (tree_ptr, last_acc) |
| searches last element on trajectory, until where the sides of the tree are deleted (in sub tree) also found the last accepted element before. searches the last element which at least have ONE (not calculated) node in the tree branch | |
| recursive subroutine, public | search_canceling_elements (pt_elem_in, prob, tmc_env) |
| searches in all branches down below the entered global tree element for elements to cancel, if prob is present start searching at the related tree child node | |
| subroutine, public | count_prepared_nodes_in_trees (global_tree_ptr, counters) |
| searches for created configurations in all subtrees | |
| subroutine, public | count_nodes_in_trees (global_tree_ptr, end_of_clean_trees, counters, head_elements_nr) |
| counts the number of existing nodes in global and subtrees | |
tree nodes search etc.
| recursive subroutine, public tmc_tree_search::most_prob_end | ( | type(global_tree_type), pointer | global_tree_elem, |
| real(kind=dp), intent(out) | prob, | ||
| logical, intent(inout) | n_acc, | ||
| logical, optional | search_energy_node ) |
search most probable end in global tree to create a new tree node using the acceptance probabilities for each move type of each temperature routine distinguishes the search for most probable node for energy and most probable node with open end for new configuration In case of searching open end: routine stops in branch with canceled NMC, using this a one possibility
| global_tree_elem | starting point for search |
| prob | return value, the probability of reaching the tree node |
| n_acc | drection of branch the next tree node should extend |
| search_energy_node | ... \parma search_energy_node flag if configuration for calculating exact energy should be searched |
Definition at line 66 of file tmc_tree_search.F.
| subroutine, public tmc_tree_search::search_next_energy_calc | ( | type(global_tree_type), pointer | gt_head, |
| type(global_tree_type), pointer | new_gt_elem, | ||
| integer | stat, | ||
| integer | react_count ) |
gt_head head of the global tree
| gt_head | ... |
| new_gt_elem | return value the energy should be calculated for |
| stat | routine status return value |
| react_count | reactivation counter |
Definition at line 228 of file tmc_tree_search.F.
| recursive type(tree_type) function, pointer, public tmc_tree_search::search_parent_element | ( | type(tree_type), pointer | current | ) |
searching the parent element (last accepted configuration before)
| current | actual tree element |
Definition at line 280 of file tmc_tree_search.F.
| recursive subroutine, public tmc_tree_search::search_next_gt_element_to_check | ( | type(global_tree_type), pointer | ptr, |
| logical | found ) |
search the next global element in the Markov Chain to check
| ptr | start point for search, should be on the known Markov Chain |
| found | flag if routine was successful |
Definition at line 313 of file tmc_tree_search.F.
| subroutine, public tmc_tree_search::get_subtree_elements_to_check | ( | type(global_tree_type), pointer | gt_act_elem, |
| type(tree_type), intent(out), pointer | elem1, | ||
| type(tree_type), intent(out), pointer | elem2 ) |
get the changed element of the actual global tree element and its related last accepted parent
| gt_act_elem | actual global tree element |
| elem1 | two subtree elements which should be compared |
| elem2 | two subtree elements which should be compared |
Definition at line 367 of file tmc_tree_search.F.
| recursive subroutine, public tmc_tree_search::search_end_of_clean_g_tree | ( | type(global_tree_type), pointer | last_acc, |
| type(global_tree_type), pointer | tree_ptr ) |
searches last element on trajectory, until where the sides of the tree are deleted (of global tree) also found the last accepted element before
| last_acc | returns last accepted element in cleaned tree part |
| tree_ptr | end point of search |
Definition at line 416 of file tmc_tree_search.F.
| recursive subroutine, public tmc_tree_search::search_end_of_clean_tree | ( | type(tree_type), pointer | tree_ptr, |
| type(tree_type), intent(in), pointer | last_acc ) |
searches last element on trajectory, until where the sides of the tree are deleted (in sub tree) also found the last accepted element before. searches the last element which at least have ONE (not calculated) node in the tree branch
| tree_ptr | ... |
| last_acc | ... |
Definition at line 467 of file tmc_tree_search.F.
| recursive subroutine, public tmc_tree_search::search_canceling_elements | ( | type(global_tree_type), intent(in), pointer | pt_elem_in, |
| real(kind=dp), optional | prob, | ||
| type(tmc_env_type), pointer | tmc_env ) |
searches in all branches down below the entered global tree element for elements to cancel, if prob is present start searching at the related tree child node
| pt_elem_in | start search point |
| prob | the acceptance probability of the tree element to define the direction to start with |
| tmc_env | TMC environment |
Definition at line 506 of file tmc_tree_search.F.
| subroutine, public tmc_tree_search::count_prepared_nodes_in_trees | ( | type(global_tree_type), intent(in), pointer | global_tree_ptr, |
| integer, dimension(:), pointer | counters ) |
searches for created configurations in all subtrees
| global_tree_ptr | pointer to one global tree element |
| counters | array returning the counters for each subtree |
Definition at line 580 of file tmc_tree_search.F.
| subroutine, public tmc_tree_search::count_nodes_in_trees | ( | type(global_tree_type), pointer | global_tree_ptr, |
| type(elem_array_type), dimension(:), pointer | end_of_clean_trees, | ||
| integer, dimension(:), pointer | counters, | ||
| integer, dimension(:), pointer | head_elements_nr ) |
counts the number of existing nodes in global and subtrees
| global_tree_ptr | pointer to one global tree element |
| end_of_clean_trees | points to the last elements of the clean sub trees |
| counters | array returning the counters for each subtree |
| head_elements_nr | node number of the existing global and sub tree heads |
Definition at line 668 of file tmc_tree_search.F.
1.15.0