mc_moves.F File Reference

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

Go to the source code of this file.

Modules
module	mc_moves
	the various moves in Monte Carlo (MC) simulations, including change of internal conformation, translation of a molecule, rotation of a molecule, and changing the size of the simulation box

Functions/Subroutines
subroutine, public	mc_moves::mc_conformation_change (mc_par, force_env, bias_env, moves, move_updates, start_atom, molecule_type, box_number, bias_energy, move_type, lreject, rng_stream)
	performs either a bond or angle change move for a given molecule More...
subroutine, public	mc_moves::mc_molecule_translation (mc_par, force_env, bias_env, moves, move_updates, start_atom, box_number, bias_energy, molecule_type, lreject, rng_stream)
	translates the given molecule randomly in either the x,y, or z direction More...
subroutine, public	mc_moves::mc_molecule_rotation (mc_par, force_env, bias_env, moves, move_updates, box_number, start_atom, molecule_type, bias_energy, lreject, rng_stream)
	rotates the given molecule randomly around the x,y, or z axis... only works for water at the moment More...
subroutine, public	mc_moves::mc_volume_move (mc_par, force_env, moves, move_updates, old_energy, box_number, energy_check, r_old, iw, discrete_array, rng_stream)
	performs a Monte Carlo move that alters the volume of the simulation box More...
subroutine, public	mc_moves::mc_avbmc_move (mc_par, force_env, bias_env, moves, energy_check, r_old, old_energy, start_atom_swap, target_atom, molecule_type, box_number, bias_energy_old, last_bias_energy, move_type, rng_stream)
	performs either a bond or angle change move for a given molecule More...
subroutine, public	mc_moves::mc_hmc_move (mc_par, force_env, globenv, moves, move_updates, old_energy, box_number, energy_check, r_old, rng_stream)
	performs a hybrid Monte Carlo move that runs a short MD sequence More...
subroutine, public	mc_moves::mc_cluster_translation (mc_par, force_env, bias_env, moves, move_updates, box_number, bias_energy, lreject, rng_stream)
	translates the cluster randomly in either the x,y, or z direction More...