mc_environment_types.F

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!--------------------------------------------------------------------------------------------------!
!   CP2K: A general program to perform molecular dynamics simulations                              !
!   Copyright 2000-2024 CP2K developers group <https://cp2k.org>                                   !
!                                                                                                  !
!   SPDX-License-Identifier: GPL-2.0-or-later                                                      !
!--------------------------------------------------------------------------------------------------!
 
! **************************************************************************************************
!> \brief contains the subroutines for dealing with the mc_env
!> \author MJM Oct. 15-2003
! **************************************************************************************************
MODULE mc_environment_types
 
   USE force_env_types,                 ONLY: force_env_type
   USE mc_types,                        ONLY: mc_simpar_type
#include "../../base/base_uses.f90"
 
   IMPLICIT NONE
 
   PRIVATE
 
! **************************************************************************************************
   TYPE mc_environment_type
      TYPE(mc_simpar_type), POINTER :: mc_par => null()
      TYPE(force_env_type), POINTER :: force_env => null()
   END TYPE mc_environment_type
 
! **************************************************************************************************
   TYPE mc_environment_p_type
      TYPE(mc_environment_type), POINTER :: mc_env => null()
   END TYPE mc_environment_p_type
 
! *** Public subroutines and data types ***
   PUBLIC :: mc_environment_type, mc_environment_p_type, &
             set_mc_env, mc_env_create, &
             get_mc_env, mc_env_release
 
! *** Global parameters ***
 
   CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'mc_environment_types'
 
CONTAINS
 
! **************************************************************************************************
!> \brief creates and initializes an mc_env
!> \param mc_env the mc_environment you want to create
!>
!>    Suitable for parallel use.
!> \author MJM
! **************************************************************************************************
   SUBROUTINE mc_env_create(mc_env)
 
      TYPE(mc_environment_type), INTENT(OUT)             :: mc_env
 
      mark_used(mc_env)
 
   END SUBROUTINE mc_env_create
 
! **************************************************************************************************
!> \brief provides a method for attaching various structures to an mc_env
!> \param mc_env the mc_environment you want to change
!> \param mc_par the mc parameters you want to associate with this mc_env
!> \param force_env the force environment type you want to associate
!>                   with this mc_env
!>
!>    Suitable for parallel.
!> \author MJM
! **************************************************************************************************
   SUBROUTINE set_mc_env(mc_env, mc_par, force_env)
 
      TYPE(mc_environment_type), INTENT(INOUT)           :: mc_env
      TYPE(mc_simpar_type), OPTIONAL, POINTER            :: mc_par
      TYPE(force_env_type), OPTIONAL, POINTER            :: force_env
 
      IF (PRESENT(mc_par)) mc_env%mc_par => mc_par
      IF (PRESENT(force_env)) THEN
         mc_env%force_env => force_env
      END IF
 
   END SUBROUTINE set_mc_env
 
! **************************************************************************************************
!> \brief provides a method for getting the various structures attached
!>      to an mc_env
!> \param mc_env the mc_environment you want to get information on
!> \param mc_par the mc parameters you want to point to the parameters
!>                associated with this mc_env
!> \param force_env the force environment type you want to point to the
!>                force environment associated with this mc_env
!>
!>    Suitable for parallel.
!> \author MJM
! **************************************************************************************************
   SUBROUTINE get_mc_env(mc_env, mc_par, force_env)
 
      TYPE(mc_environment_type), INTENT(IN)              :: mc_env
      TYPE(mc_simpar_type), OPTIONAL, POINTER            :: mc_par
      TYPE(force_env_type), OPTIONAL, POINTER            :: force_env
 
      IF (PRESENT(mc_par)) mc_par => mc_env%mc_par
      IF (PRESENT(force_env)) force_env => mc_env%force_env
 
   END SUBROUTINE get_mc_env
 
! **************************************************************************************************
!> \brief releases the given mc env
!> \param mc_env the mc environment to release
!> \author MJM
!> \note
!>      see doc/ReferenceCounting.html
! **************************************************************************************************
   SUBROUTINE mc_env_release(mc_env)
      TYPE(mc_environment_type), INTENT(INOUT)           :: mc_env
 
      NULLIFY (mc_env%mc_par)
      NULLIFY (mc_env%force_env)
 
   END SUBROUTINE mc_env_release
 
END MODULE mc_environment_types