prg_initmatrices_mod.F90

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module prg_initmatrices_mod
 
  use bml
 
  implicit none
 
  private
 
  integer, parameter :: dp = kind(1.0d0)
 
  public :: prg_init_hsmat,prg_init_pzmat,prg_init_ortho
 
contains
 
  subroutine prg_init_hsmat(ham_bml,over_bml,bml_type,mdim,norb)
    implicit none
    type(bml_matrix_t), intent (inout) :: ham_bml,over_bml
    integer, intent(in) :: norb
    integer, intent(inout) :: mdim
    character(20) :: bml_type
 
    if(mdim < 0)mdim = norb
    !Allocate bml's
    call bml_zero_matrix(bml_type,bml_element_real,dp,norb,mdim,ham_bml)
    call bml_zero_matrix(bml_type,bml_element_real,dp,norb,mdim,over_bml)
 
  end subroutine prg_init_hsmat
 
  subroutine prg_init_pzmat(rho_bml,zmat_bml,bml_type,mdim,norb)
    implicit none
    type(bml_matrix_t), intent (inout) :: rho_bml,zmat_bml
    integer, intent(in) :: norb
    integer, intent(inout) :: mdim
    character(20) :: bml_type
 
    if(mdim < 0)mdim = norb
    !Allocate bml's
    call bml_zero_matrix(bml_type,bml_element_real,dp,norb,mdim,rho_bml)
    call bml_zero_matrix(bml_type,bml_element_real,dp,norb,mdim,zmat_bml)
 
  end subroutine prg_init_pzmat
 
  subroutine prg_init_ortho(orthoh_bml,orthop_bml,bml_type,mdim,norb)
    implicit none
    type(bml_matrix_t), intent (inout) :: orthoh_bml,orthop_bml
    integer, intent(in) :: norb
    integer, intent(inout) :: mdim
    character(20) :: bml_type
 
    if(mdim < 0)mdim = norb
    !Allocate bml's
    call bml_noinit_matrix(bml_type,bml_element_real,dp,norb,mdim,orthoh_bml)
    call bml_noinit_matrix(bml_type,bml_element_real,dp,norb,mdim,orthop_bml)
 
  end subroutine prg_init_ortho
 
end module prg_initmatrices_mod