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ABINIT/m_lattice_langevin_mover [ Modules ]

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NAME

 m_lattice_langevin_mover

FUNCTION

 This module contains the langevin  (NVT) lattice mover.
 It is a translation from the ASE (GPL licenced) Langevin mover python code to fortran.
 The original code can be found at
 https://gitlab.com/ase/ase/blob/master/ase/md/langevin.py
 The method is described in
 E. V.-Eijnden, and G. Ciccotti, Chem. Phys. Lett. 429, 310 (2006)
  https://doi.org/10.1016/j.cplett.2006.07.086


 Datatypes:

 * lattice_langevin_mover_t: defines the lattice movers

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

COPYRIGHT

 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

34 #if defined HAVE_CONFIG_H
35 #include "config.h"
36 #endif
37 
38 #include "abi_common.h"
39 
40 module m_lattice_langevin_mover
41   use defs_basis
42   use m_abicore
43   use m_errors
44 
45   use m_multibinit_dataset, only: multibinit_dtset_type
46   use m_abstract_potential, only: abstract_potential_t
47   use m_abstract_mover, only: abstract_mover_t
48   use m_lattice_mover, only: lattice_mover_t
49   use m_multibinit_cell, only: mbcell_t, mbsupercell_t
50   use m_random_xoroshiro128plus, only:  rng_t
51   use m_hashtable_strval, only: hash_table_t