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ABINIT/m_multibinit_manager [ Modules ]

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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