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ABINIT/m_spin_ncfile [ Modules ]

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NAME

 m_spin_ncfile

FUNCTION

 This module contains the wrapper for writting spin hist netcdf file.
 Unlike the m_spin_potential, inside netcdf, there should be not only the
 data of magnetic atoms, but also the whole lattice (which do not move).

 Datatypes:
  spin_ncfile_t

 Subroutines:
  * spin_ncfile_t_init
  * spin_ncfile_t_write_parameters (write parameters)
  * spin_ncfile_t_def_sd (define spin dynamics related dimensions and ids)
  * spin_ncfile_t_write_primitive_cell (write primitive cell information)
  * spin_ncfile_t_write_supercell (write supercell information)
  * spin_ncfile_t_write_one_step (write one step of spin dynamics)
  * spin_ncfile_t_close (close and save netcdf file)

 TODO hexu: should consider carefully what to write.

COPYRIGHT

 Copyright (C) 2001-2022 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

33 #if defined HAVE_CONFIG_H
34 #include "config.h"
35 #endif
36 
37 
38 #include "abi_common.h"
39 
40 module m_spin_ncfile
41   use defs_basis
42   use m_abicore
43   use m_errors
44   use m_xmpi
45   use m_nctk
46   use m_spin_hist , only: spin_hist_t
47   use m_spin_primitive_potential, only: spin_primitive_potential_t
48   use m_spin_potential , only: spin_potential_t
49   use m_multibinit_dataset, only: multibinit_dtset_type
50   !use m_multibinit_supercell, only: mb_supercell_t
51   use m_multibinit_cell, only: mbcell_t, mbsupercell_t
52   use m_spin_observables, only : spin_observable_t
53 #if defined HAVE_NETCDF
54   use netcdf
55 #endif
56   implicit none