./78_effpot/m_lwf_mc

ABINIT/m_lwf_mc_mover

ABINIT/m_lwf_mc_mover [ Modules ]

NAME

 m_lwf_mc_mover

FUNCTION

 This module contains the lwf Markov chain Monte Carlo functions for lwf mover .


 Datatypes:

 * lwf_mc_t : MCMC. It defines how to move lwfs in one step,
 attempt function: whether to accept move
 accecpt/reject method which define what to do if move is
 accepted or rejected!! . 

 Subroutines:
 TODO: add this when F2003 doc style is determined.

 Copyright (C) 2001-2024 ABINIT group (hexu)
 This file is distributed under the terms of the
 GNU General Public License, see ~abinit/COPYING
 or http://www.gnu.org/copyleft/gpl.txt .
 For the initials of contributors, see ~abinit/doc/developers/contributors.txt .

SOURCE

29 #if defined HAVE_CONFIG_H
30 #include "config.h"
31 #endif
32 #include "abi_common.h"
33     module m_lwf_mc_mover
34     use defs_basis
35     use m_abicore
36     use m_errors
37     use m_abstract_potential, only: abstract_potential_t
38     use m_random_xoroshiro128plus, only: rng_t
39     use m_hashtable_strval, only: hash_table_t
40     use m_multibinit_dataset, only: multibinit_dtset_type
41     use m_lwf_mover, only: lwf_mover_t
42     use m_multibinit_cell, only: mbcell_t, mbsupercell_t
43     implicit none

TABLE OF CONTENTS

ABINIT/m_lwf_mc_mover [ Modules ]