davidson_direct_ci_end Subroutine

public subroutine davidson_direct_ci_end(this)

Arguments

Type IntentOptional Attributes Name
type(DavidsonCalcType), intent(inout) :: this

Contents


Source Code

    subroutine davidson_direct_ci_end(this)
        type(DavidsonCalcType), intent(inout) :: this
        integer :: ierr
        if (allocated(hamil_diag)) then
            deallocate(hamil_diag, stat=ierr)
            call LogMemDealloc("davidson_direct_ci_end", HDiagTag, ierr)
        end if
        if (allocated(this%davidson_eigenvector)) then
            deallocate(this%davidson_eigenvector, stat=ierr)
            call LogMemDealloc("davidson_direct_ci_end", DavidsonTag, ierr)
        end if

        write(stdout, '(/,1X,"Direct CI Davidson calculation complete.",/)'); call neci_flush(stdout)

        write(stdout, "(1X,a10,f16.10)") "GROUND E =", this%davidson_eigenvalue; call neci_flush(stdout)
    end subroutine davidson_direct_ci_end