TABLE OF CONTENTS
ABINIT/m_multibinit_manager [ Modules ]
NAME
m_multibinit_manager
FUNCTION
This module contains the manager type, which is a thin layer above ALL TODO: the structure of this is yet to be discussed Datatypes: * mb_manager_t 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
28 #if defined HAVE_CONFIG_H 29 #include "config.h" 30 #endif 31 32 #include "abi_common.h" 33 34 module m_multibinit_manager 35 use defs_basis 36 use m_abicore 37 use m_errors 38 use m_xmpi 39 40 use m_init10, only: init10, postfix_fnames 41 use m_mathfuncs, only: diag 42 use m_hashtable_strval, only: hash_table_t 43 use m_multibinit_dataset, only: multibinit_dtset_type, invars10, & 44 outvars_multibinit, multibinit_dtset_free 45 ! random number generator 46 use m_random_xoroshiro128plus, only: rng_t 47 48 ! cells 49 use m_supercell_maker, only: supercell_maker_t 50 use m_multibinit_cell, only: mbcell_t, mbsupercell_t 51 52 ! primitive potential 53 use m_primitive_potential_list, only: primitive_potential_list_t 54 use m_primitive_potential, only: primitive_potential_t 55 56 ! 57 use m_abstract_potential, only: abstract_potential_t 58 use m_potential_list, only: potential_list_t 59 use m_abstract_mover, only: abstract_mover_t 60 use m_lattice_effpot, only : lattice_effpot_t 61 62 ! Spin 63 use m_spin_primitive_potential, only: spin_primitive_potential_t 64 use m_spin_potential, only : spin_potential_t 65 use m_spin_mover, only : spin_mover_t 66 use m_mpi_scheduler, only: init_mpi_info 67 ! TODO : should these be moved into spin mover? 68 use m_spin_ncfile, only: spin_ncfile_t 69 70 ! Lattice harmonic 71 use m_lattice_harmonic_primitive_potential, only: lattice_harmonic_primitive_potential_t 72 use m_lattice_harmonic_potential, only: lattice_harmonic_potential_t 73 74 ! Lattice movers 75 use m_lattice_mover, only: lattice_mover_t 76 use m_lattice_langevin_mover, only: lattice_langevin_mover_t 77 use m_lattice_verlet_mover, only: lattice_verlet_mover_t 78 use m_lattice_berendsen_NVT_mover, only: lattice_berendsen_NVT_mover_t 79 use m_lattice_berendsen_NPT_mover, only: lattice_berendsen_NPT_mover_t 80 use m_lattice_dummy_mover, only: lattice_dummy_mover_t 81 82 ! Spin lattice coupling 83 use m_slc_primitive_potential, only: slc_primitive_potential_t 84 use m_slc_potential, only : slc_potential_t 85 use m_slc_dynamics 86 87 ! LWF 88 use m_lwf_primitive_potential, only: lwf_primitive_potential_t 89 use m_lwf_potential, only: lwf_potential_t 90 use m_lwf_mover, only: lwf_mover_t 91 use m_lwf_mc_mover, only: lwf_mc_t 92 use m_lwf_dummy_mover, only: lwf_dummy_mover_t 93 use m_lwf_berendsen_mover, only: lwf_berendsen_mover_t 94 95 ! lattice-lwf hybrid 96 use m_lattice_lwf_mover, only: lattice_lwf_mover_t 97 98 implicit none 99 private