prg_normalize_mod.F90

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!
!
 
module prg_normalize_mod
 
  use bml
  use prg_graph_mod
  use prg_parallel_mod
 
  implicit none
 
  private  !Everything is private by default
 
  integer, parameter :: dp = kind(1.0d0)
 
  public :: prg_normalize
  public :: prg_normalize_implicit_fermi
  public :: prg_normalize_fermi
  public :: prg_normalize_cheb
  public :: prg_gershgorinreduction
 
contains
 
  subroutine prg_normalize(h_bml)
 
    type(bml_matrix_t),intent(inout) :: h_bml
 
    real(dp) :: alpha, beta, maxminusmin
    real(dp), allocatable :: gbnd(:)
 
    allocate(gbnd(2))
 
    call bml_gershgorin(h_bml, gbnd)
    call bml_normalize(h_bml, gbnd(1), gbnd(2))
 
    deallocate(gbnd)
 
  end subroutine prg_normalize
 
  subroutine prg_normalize_fermi(h_bml, h1, hN, mu)
 
    type(bml_matrix_t),intent(inout) :: h_bml
    real(dp), intent(in) :: h1, hn, mu
 
    real(dp) :: alpha, beta, maxminusmininverse
 
    maxminusmininverse = 1.0_dp/(hn - h1)
    alpha = -1.0_dp
    beta = hn - mu
    call bml_scale_add_identity(h_bml, alpha, beta, 0.00_dp)
    call bml_scale(maxminusmininverse, h_bml)
 
  end subroutine prg_normalize_fermi
 
  subroutine prg_normalize_implicit_fermi(h_bml, cnst, mu)
 
    type(bml_matrix_t),intent(inout) :: h_bml
    real(dp), intent(in) :: cnst, mu
 
    real(dp) :: alpha, beta
 
    alpha = -cnst
    beta = 0.5_dp + cnst * mu
    call bml_scale_add_identity(h_bml, alpha, beta, 0.00_dp)
 
  end subroutine prg_normalize_implicit_fermi
 
  subroutine prg_gershgorinreduction(gp)
 
    implicit none
 
    type(graph_partitioning_t), intent(inout) :: gp
 
    integer :: i, nranks
    real(dp) :: localval
 
    nranks = getnranks()
    if (nranks .eq. 1) return
 
    localval = gp%mineval
    call prg_minrealreduce(localval)
    gp%mineval = localval
 
    localval = gp%maxeval
    call prg_maxrealreduce(localval)
    gp%maxeval = localval
 
  end subroutine prg_gershgorinreduction
 
  subroutine prg_normalize_cheb(h_bml,mu,emin,emax,alpha,scaledmu)
 
    implicit none
    type(bml_matrix_t),intent(inout) :: h_bml
 
    real(dp) :: beta, maxminusmin
    real(dp), intent(in) :: mu, emin, emax
    real(dp), intent(inout) :: scaledmu, alpha
 
    maxminusmin = emax - emin
    alpha = 2.00_dp / maxminusmin
    beta = -1.00_dp*(2.00_dp*emin/maxminusmin + 1.00_dp)
    call bml_scale_add_identity(h_bml, alpha, beta, 0.00_dp)
    scaledmu = alpha*mu + beta
 
  end subroutine prg_normalize_cheb
 
 
end module prg_normalize_mod