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 Allocatable vectors for NEGF based quantum transport calculations.
      10              : ! **************************************************************************************************
      11              : 
      12              : MODULE negf_alloc_types
      13              :    USE kinds,                           ONLY: dp
      14              : #include "./base/base_uses.f90"
      15              : 
      16              :    IMPLICIT NONE
      17              :    PRIVATE
      18              : 
      19              :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'negf_alloc_types'
      20              : 
      21              :    PUBLIC :: negf_allocatable_ivector, negf_allocatable_rvector, &
      22              :              negf_allocatable_imatrix, negf_allocatable_rmatrix
      23              : 
      24              : ! **************************************************************************************************
      25              : !> \brief Allocatable 1-D integer vector
      26              : ! **************************************************************************************************
      27              :    TYPE negf_allocatable_ivector
      28              :       !> allocatable 1-D integer vector
      29              :       INTEGER, ALLOCATABLE, DIMENSION(:)                 :: vector
      30              :    END TYPE negf_allocatable_ivector
      31              : 
      32              : ! **************************************************************************************************
      33              : !> \brief Allocatable 1-D real vector
      34              : ! **************************************************************************************************
      35              :    TYPE negf_allocatable_rvector
      36              :       !> allocatable 1-D real vector
      37              :       REAL(kind=dp), ALLOCATABLE, DIMENSION(:)           :: vector
      38              :    END TYPE negf_allocatable_rvector
      39              : 
      40              : ! **************************************************************************************************
      41              : !> \brief Allocatable 2-D integer matrix
      42              : ! **************************************************************************************************
      43              :    TYPE negf_allocatable_imatrix
      44              :       !> allocatable 2-D integer matrix
      45              :       INTEGER, ALLOCATABLE, DIMENSION(:, :)              :: matrix
      46              :    END TYPE negf_allocatable_imatrix
      47              : 
      48              : ! **************************************************************************************************
      49              : !> \brief Allocatable 2-D real matrix
      50              : ! **************************************************************************************************
      51              :    TYPE negf_allocatable_rmatrix
      52              :       !> allocatable 2-D real matrix
      53              :       REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :)        :: matrix
      54              :    END TYPE negf_allocatable_rmatrix
      55              : 
      56            0 : END MODULE negf_alloc_types