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       1                 :             : !!****m* ABINIT/m_lwf_dummy_mover
       2                 :             : !! NAME
       3                 :             : !! m_lwf_dummy_mover
       4                 :             : !!
       5                 :             : !! FUNCTION
       6                 :             : !! This module contains the lwf Markov chain Monte Carlo functions for lwf mover .
       7                 :             : !!
       8                 :             : !!
       9                 :             : !! Datatypes:
      10                 :             : !!
      11                 :             : !! * lwf_dummy_mover_t : This mover does not move lwf, instead, it allow the lwf
      12                 :             : !!  to be moved by the potential. It is used to monitor the move of lwf when the lattice mover
      13                 :             : !!  is actually used.
      14                 :             : !!
      15                 :             : !! Subroutines:
      16                 :             : !! TODO: add this when F2003 doc style is determined.
      17                 :             : !!
      18                 :             : !!
      19                 :             : !! COPYRIGHT
      20                 :             : !! Copyright (C) 2001-2026 ABINIT group (hexu)
      21                 :             : !! This file is distributed under the terms of the
      22                 :             : !! GNU General Public License, see ~abinit/COPYING
      23                 :             : !! or http://www.gnu.org/copyleft/gpl.txt .
      24                 :             : !! For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
      25                 :             : !!
      26                 :             : !! SOURCE
      27                 :             : 
      28                 :             : #if defined HAVE_CONFIG_H
      29                 :             : #include "config.h"
      30                 :             : #endif
      31                 :             : #include "abi_common.h"
      32                 :             :     module m_lwf_dummy_mover
      33                 :             :     use defs_basis
      34                 :             :     use m_abicore
      35                 :             :     use m_errors
      36                 :             :     use m_abstract_potential, only: abstract_potential_t
      37                 :             :     use m_random_xoroshiro128plus, only: rng_t
      38                 :             :     use m_hashtable_strval, only: hash_table_t
      39                 :             :     use m_multibinit_dataset, only: multibinit_dtset_type
      40                 :             :     use m_lwf_mover, only: lwf_mover_t
      41                 :             :     use m_multibinit_cell, only: mbcell_t, mbsupercell_t
      42                 :             :     implicit none
      43                 :             : !!***
      44                 :             :     private
      45                 :             :     !----------------------------------------------------------------------
      46                 :             :     !> @brief An dummy mover for lwf
      47                 :             :     !----------------------------------------------------------------------
      48                 :             :     type,public, extends(lwf_mover_t) :: lwf_dummy_mover_t
      49                 :             :      contains
      50                 :             :        procedure  :: run_one_step
      51                 :             :     end type lwf_dummy_mover_t
      52                 :             :   contains
      53                 :             : 
      54                 :             : 
      55                 :             :   !-------------------------------------------------------------------!
      56                 :             :   !> @brief: Run_one_step
      57                 :             :   !>   effpot: the potential (which do the calculation of E and dE/dvar)
      58                 :             :   !> param[in]: effpot
      59                 :             :   !> param[in]: (optional) displacement
      60                 :             :   !> param[in]: (optional) strain
      61                 :             :   !> param[in]: (optional) spin
      62                 :             :   !> param[in]: (optional) lwf
      63                 :             :   ! NOTE: No need to pass the variable already saved in the mover.
      64                 :             :   !     e.g. For spin mover, do NOT pass the spin to it.
      65                 :             :   !    The other variables are only required if there is coupling with
      66                 :             :   !    the mover variable.
      67                 :             :   !-------------------------------------------------------------------!
      68                 :           0 :   subroutine run_one_step(self, effpot, displacement, strain, spin, lwf,  energy_table)
      69                 :             :     class(lwf_dummy_mover_t), intent(inout) :: self
      70                 :             :     real(dp), optional, intent(inout) :: displacement(:,:), strain(:,:), spin(:,:), lwf(:)
      71                 :             :     type(hash_table_t), optional, intent(inout) :: energy_table
      72                 :             :     class(abstract_potential_t), intent(inout) :: effpot
      73                 :           0 :     ABI_UNUSED_A(self)
      74                 :           0 :     ABI_UNUSED_A(effpot)
      75                 :           0 :     ABI_UNUSED_A(displacement)
      76                 :           0 :     ABI_UNUSED_A(strain)
      77                 :           0 :     ABI_UNUSED_A(spin)
      78                 :           0 :     ABI_UNUSED_A(lwf)
      79                 :           0 :     ABI_UNUSED_A(energy_table)
      80                 :           0 :   end subroutine run_one_step
      81   [ #  #  #  #  :           0 : end module m_lwf_dummy_mover
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