mc_control.F File Reference

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

Go to the source code of this file.

Modules
module	mc_control
	contains some general routines for dealing with the restart files and creating force_env for MC use

Functions/Subroutines
subroutine, public	mc_control::write_mc_restart (nnstep, mc_par, nchains, force_env)
	writes the coordinates of the current step to a file that can be read in at the start of the next simulation
subroutine, public	mc_control::read_mc_restart (mc_par, force_env, iw, mc_nunits_tot, rng_stream)
	reads the input coordinates of the simulation from a file written above
subroutine, public	mc_control::mc_create_force_env (force_env, input_declaration, para_env, input_file_name, globenv_new)
	creates a force environment for any of the different kinds of MC simulations we can do (FIST, QS)
subroutine, public	mc_control::mc_create_bias_force_env (bias_env, r, atom_symbols, nunits_tot, para_env, box_length, nchains, input_declaration, mc_input_file, ionode)
	essentially copies the cell size and coordinates of one force env to another that we will use to bias some moves with