mao_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 The types needed for the calculation of modified atomic orbitals (MAO)
!> \par History
!>      03.2016 created [JGH]
!> \author JGH
! **************************************************************************************************
MODULE mao_types
 
#include "./base/base_uses.f90"
   IMPLICIT NONE
   PRIVATE
 
   CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'mao_types'
 
! **************************************************************************************************
!> \brief Quantities needed for MAO's
!> \author JGH
! **************************************************************************************************
   TYPE mao_type
      INTEGER                       :: ref_basis
   END TYPE mao_type
 
! **************************************************************************************************
 
CONTAINS
 
! **************************************************************************************************
!> \brief ...
!> \param mao_env ...
! **************************************************************************************************
   SUBROUTINE create_mao_type(mao_env)
      TYPE(mao_type), POINTER                            :: mao_env
 
      IF (ASSOCIATED(mao_env)) THEN
         CALL release_mao_type(mao_env)
      END IF
 
      ALLOCATE (mao_env)
 
   END SUBROUTINE create_mao_type
 
! **************************************************************************************************
!> \brief ...
!> \param mao_env ...
! **************************************************************************************************
   SUBROUTINE release_mao_type(mao_env)
      TYPE(mao_type), POINTER                            :: mao_env
 
      IF (ASSOCIATED(mao_env)) THEN
         DEALLOCATE (mao_env)
      END IF
 
   END SUBROUTINE release_mao_type
 
! **************************************************************************************************
 
END MODULE mao_types