Documentation for module tmc_move_types

tree nodes creation, searching, deallocation, references etc.

source: tmc_move_types.F
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public Types:

tmc_move_type
...

public Subroutines/Functions:

allocating the module variables
deallocating the module variables

Parameters:

INTEGER
:: mv_type_atom_swap = 6
INTEGER
:: mv_type_atom_trans = 2
INTEGER
:: mv_type_gausian_adapt = 9
INTEGER
:: mv_type_md = 7
INTEGER
:: mv_type_mol_rot = 4
INTEGER
:: mv_type_mol_trans = 3
INTEGER
:: mv_type_nmc_moves = 10
INTEGER
:: mv_type_none = 0
INTEGER
:: mv_type_proton_reorder = 5
INTEGER
:: mv_type_swap_conf = 1
INTEGER
:: mv_type_volume_move = 8
INTEGER
:: nr_mv_types = 10

public Types:

TYPE :: tmc_move_type

...


REAL(dp),
DIMENSION(:), ALLOCATABLE :: mv_weight ...
REAL(dp),
DIMENSION(:,:), ALLOCATABLE :: mv_size ...
REAL(dp),
DIMENSION(:,:), ALLOCATABLE :: acc_prob ...
INTEGER,
DIMENSION(:,:), ALLOCATABLE :: mv_count ...
INTEGER,
DIMENSION(:,:), ALLOCATABLE :: acc_count ...
INTEGER,
DIMENSION(:,:), ALLOCATABLE :: subbox_acc_count ...
INTEGER,
DIMENSION(:,:), ALLOCATABLE :: subbox_count ...
TYPE(list_atoms),
DIMENSION(:), POINTER :: atom_lists ...

SUBROUTINEmove_types_create(move_types, nr_temp)

allocating the module variables

Arguments:
POINTER
:: move_types pointer to the structure which should be deallocated
INTEGER
:: nr_temp ...

SUBROUTINEmove_types_release(move_types)

deallocating the module variables

Arguments:
POINTER
:: move_types pointer to the structure which should be deallocated

private Parameters/Types:

private Types:

TYPE :: list_atoms

...


DIMENSION(:), POINTER :: atoms ...