Diagonalizer_module.f90

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! Copyright 2019
!
! For a comprehensive list of the developers that contributed to these codes
! see the UK-AMOR website.
!
! This file is part of UKRmol-in (UKRmol+ suite).
!
!     UKRmol-in is free software: you can redistribute it and/or modify
!     it under the terms of the GNU General Public License as published by
!     the Free Software Foundation, either version 3 of the License, or
!     (at your option) any later version.
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!     UKRmol-in is distributed in the hope that it will be useful,
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!     GNU General Public License for more details.
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!     You should have received a copy of the GNU General Public License
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!> \brief   Base type for all diagonalizers
!> \authors A Al-Refaie
!> \date    2017
!>
!> Individual specializations are included in the build depending on the CMake configuration flags.
!>
!> \note 16/01/2019 - Jakub Benda: Unifom coding style and expanded documentation.
!>
module diagonalizer_module
 
    implicit none
 
    type, abstract :: basediagonalizer
    contains
        procedure(generic_diagonalize), deferred :: diagonalize
    end type basediagonalizer
 
    abstract interface
        subroutine generic_diagonalize(this, matrix_elements, num_eigenpair, dresult, all_procs, option, integrals)
            use diagonalizerresult_module, only: diagonalizerresult
            use baseintegral_module,       only: baseintegral
            use basematrix_module,         only: basematrix
            use options_module,            only: options
            use precisn,                   only: wp
 
            import :: basediagonalizer
 
            class(basediagonalizer)         :: this
            class(diagonalizerresult)       :: dresult
            class(basematrix),   intent(in) :: matrix_elements
            class(baseintegral), intent(in) :: integrals
            type(options),       intent(in) :: option
            integer,             intent(in) :: num_eigenpair
            logical,             intent(in) :: all_procs
        end subroutine generic_diagonalize
    end interface
 
end module diagonalizer_module