Documentation for module tmc_moves

different move types are applied

source: tmc_moves.F
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public Subroutines/Functions:

applying the preselected move type
set a new random sub box center and counte the number of atoms in it

SUBROUTINEchange_pos(tmc_params, move_types, rng_stream, elem, mv_conf, new_subbox, move_rejected)

applying the preselected move type

Arguments:
POINTER
:: tmc_params TMC parameters with dimensions ...
POINTER
:: move_types ...
POINTER
:: rng_stream random number stream
TYPE(tree_type),
POINTER
:: elem configuration to change
INTEGER
:: mv_conf temperature index for determinig the move size
LOGICAL
:: new_subbox flag if new sub box should be crated
LOGICAL
:: move_rejected return flag if during configurational change configuration should still be accepted (not if e.g. atom/molecule leave the sub box

SUBROUTINEelements_in_new_subbox(tmc_params, rng_stream, elem, nr_of_sub_box_elements)

set a new random sub box center and counte the number of atoms in it

Arguments:
POINTER
:: tmc_params ...
POINTER
:: rng_stream ...
TYPE(tree_type),
POINTER
:: elem ...
INTEGER,
INTENT(out)
:: nr_of_sub_box_elements ...