TABLE OF CONTENTS
ABINIT/m_lattice_langevin_mover [ Modules ]
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