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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_terms, 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) 2001-2017 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

35 #if defined HAVE_CONFIG_H
36 #include "config.h"
37 #endif
38 
39 module m_spin_ncfile
40   use defs_basis
41   use m_abicore
42   use m_errors
43   use m_xmpi
44   use m_nctk
45   use m_spin_hist , only: spin_hist_t
46   use m_spin_model_primitive, only: spin_model_primitive_t
47   use m_spin_terms , only: spin_terms_t
48   use m_multibinit_dataset, only: multibinit_dtset_type
49 #if defined HAVE_NETCDF
50   use netcdf
51 #endif
52   implicit none