Line data    Source code

       1              : !--------------------------------------------------------------------------------------------------!
       2              : !   CP2K: A general program to perform molecular dynamics simulations                              !
       3              : !   Copyright 2000-2025 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              :