Line data    Source code

       1             : !--------------------------------------------------------------------------------------------------!
       2             : !   CP2K: A general program to perform molecular dynamics simulations                              !
       3             : !   Copyright 2000-2024 CP2K developers group <https://cp2k.org>                                   !
       4             : !                                                                                                  !
       5             : !   SPDX-License-Identifier: GPL-2.0-or-later                                                      !
       6             : !--------------------------------------------------------------------------------------------------!
       7             : 
       8             : ! **************************************************************************************************
       9             : !> \brief contains the subroutines for dealing with the mc_env
      10             : !> \author MJM Oct. 15-2003
      11             : ! **************************************************************************************************
      12             : MODULE mc_environment_types
      13             : 
      14             :    USE force_env_types,                 ONLY: force_env_type
      15             :    USE mc_types,                        ONLY: mc_simpar_type
      16             : #include "../../base/base_uses.f90"
      17             : 
      18             :    IMPLICIT NONE
      19             : 
      20             :    PRIVATE
      21             : 
      22             : ! **************************************************************************************************
      23             :    TYPE mc_environment_type
      24             :       TYPE(mc_simpar_type), POINTER :: mc_par => NULL()
      25             :       TYPE(force_env_type), POINTER :: force_env => NULL()
      26             :    END TYPE mc_environment_type
      27             : 
      28             : ! **************************************************************************************************
      29             :    TYPE mc_environment_p_type
      30             :       TYPE(mc_environment_type), POINTER :: mc_env => NULL()
      31             :    END TYPE mc_environment_p_type
      32             : 
      33             : ! *** Public subroutines and data types ***
      34             :    PUBLIC :: mc_environment_type, mc_environment_p_type, &
      35             :              set_mc_env, mc_env_create, &
      36             :              get_mc_env, mc_env_release
      37             : 
      38             : ! *** Global parameters ***
      39             : 
      40             :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'mc_environment_types'
      41             : 
      42             : CONTAINS
      43             : 
      44             : ! **************************************************************************************************
      45             : !> \brief creates and initializes an mc_env
      46             : !> \param mc_env the mc_environment you want to create
      47             : !>
      48             : !>    Suitable for parallel use.
      49             : !> \author MJM
      50             : ! **************************************************************************************************
      51          28 :    SUBROUTINE mc_env_create(mc_env)
      52             : 
      53             :       TYPE(mc_environment_type), INTENT(OUT)             :: mc_env
      54             : 
      55             :       MARK_USED(mc_env)
      56             : 
      57          28 :    END SUBROUTINE mc_env_create
      58             : 
      59             : ! **************************************************************************************************
      60             : !> \brief provides a method for attaching various structures to an mc_env
      61             : !> \param mc_env the mc_environment you want to change
      62             : !> \param mc_par the mc parameters you want to associate with this mc_env
      63             : !> \param force_env the force environment type you want to associate
      64             : !>                   with this mc_env
      65             : !>
      66             : !>    Suitable for parallel.
      67             : !> \author MJM
      68             : ! **************************************************************************************************
      69          52 :    SUBROUTINE set_mc_env(mc_env, mc_par, force_env)
      70             : 
      71             :       TYPE(mc_environment_type), INTENT(INOUT)           :: mc_env
      72             :       TYPE(mc_simpar_type), OPTIONAL, POINTER            :: mc_par
      73             :       TYPE(force_env_type), OPTIONAL, POINTER            :: force_env
      74             : 
      75          52 :       IF (PRESENT(mc_par)) mc_env%mc_par => mc_par
      76          52 :       IF (PRESENT(force_env)) THEN
      77          52 :          mc_env%force_env => force_env
      78             :       END IF
      79             : 
      80          52 :    END SUBROUTINE set_mc_env
      81             : 
      82             : ! **************************************************************************************************
      83             : !> \brief provides a method for getting the various structures attached
      84             : !>      to an mc_env
      85             : !> \param mc_env the mc_environment you want to get information on
      86             : !> \param mc_par the mc parameters you want to point to the parameters
      87             : !>                associated with this mc_env
      88             : !> \param force_env the force environment type you want to point to the
      89             : !>                force environment associated with this mc_env
      90             : !>
      91             : !>    Suitable for parallel.
      92             : !> \author MJM
      93             : ! **************************************************************************************************
      94          74 :    SUBROUTINE get_mc_env(mc_env, mc_par, force_env)
      95             : 
      96             :       TYPE(mc_environment_type), INTENT(IN)              :: mc_env
      97             :       TYPE(mc_simpar_type), OPTIONAL, POINTER            :: mc_par
      98             :       TYPE(force_env_type), OPTIONAL, POINTER            :: force_env
      99             : 
     100          74 :       IF (PRESENT(mc_par)) mc_par => mc_env%mc_par
     101          74 :       IF (PRESENT(force_env)) force_env => mc_env%force_env
     102             : 
     103          74 :    END SUBROUTINE get_mc_env
     104             : 
     105             : ! **************************************************************************************************
     106             : !> \brief releases the given mc env
     107             : !> \param mc_env the mc environment to release
     108             : !> \author MJM
     109             : !> \note
     110             : !>      see doc/ReferenceCounting.html
     111             : ! **************************************************************************************************
     112          28 :    SUBROUTINE mc_env_release(mc_env)
     113             :       TYPE(mc_environment_type), INTENT(INOUT)           :: mc_env
     114             : 
     115          28 :       NULLIFY (mc_env%mc_par)
     116          28 :       NULLIFY (mc_env%force_env)
     117             : 
     118          28 :    END SUBROUTINE mc_env_release
     119             : 
     120           0 : END MODULE mc_environment_types
     121             :