mc_move_control.F File Reference

#include "../../base/base_uses.f90"

Go to the source code of this file.

Modules
module	mc_move_control
	control the handling of the move data in Monte Carlo (MC) simulations

Functions/Subroutines
subroutine, public	mc_move_control::init_mc_moves (moves)
	allocates and initializes the structure to record all move attempts/successes More...
subroutine, public	mc_move_control::mc_moves_release (moves)
	deallocates all the structures and nullifies the pointer More...
subroutine, public	mc_move_control::move_q_reinit (moves, lbias)
	sets all qsuccess counters back to zero More...
subroutine, public	mc_move_control::q_move_accept (moves, lbias)
	updates accepted moves in the given structure...assumes you've been recording all successful moves in "qsuccesses"...this was done to compensate for doing multiple inner moves between Quickstep moves (which determine ultimate acceptance of moves) More...
subroutine, public	mc_move_control::write_move_stats (moves, nnstep, unit)
	writes the number of accepted and attempted moves to a file for the various move types More...
subroutine, public	mc_move_control::mc_move_update (mc_par, move_updates, molecule_type, flag, nnstep, ionode)
	updates the maximum displacements of a Monte Carlo simulation, based on the ratio of successful moves to attempts...tries to hit a target of 0.5 acceptance ratio More...