program TMDPotGen !*********************************************************************************
!
! Stand-alone generator of files containing tubular potential data for single-walled CNTs.
!
!---------------------------------------------------------------------------------------------------
!
! Intel Fortran
!
! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 13.00, 2020
!
!***************************************************************************************************

use TubePotMono

implicit none

!---------------------------------------------------------------------------------------------------
! Global variables
!---------------------------------------------------------------------------------------------------

        integer*4       :: ChiIndM = 10         ! Chirality index m of nanotubes
        integer*4       :: ChiIndN = 10         ! Chirality index n of nanotubes

!---------------------------------------------------------------------------------------------------
! Body
!---------------------------------------------------------------------------------------------------
        
                TPMStartMode = 0

                ! Reading and printing of governing parameters
                call LoadGoverningParameters () 
                call PrintGoverningParameters () 

                call TPBInit ()
                call TPMInit ( ChiIndM, ChiIndN )

contains !------------------------------------------------------------------------------------------

        subroutine LoadGoverningParameters () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
        ! This function reads governing parameters from xdt file
        !-------------------------------------------------------------------------------------------
        integer*4       :: Fuid, i
        character*512   :: Msg
        !-------------------------------------------------------------------------------------------
                Fuid = OpenFile ( 'TMDPotGen.xdt', 'rt', '' )
                read ( unit = Fuid, fmt = '(i22)' ) ChiIndM
                read ( unit = Fuid, fmt = '(i22)' ) ChiIndN
                call CloseFile ( Fuid )
        end subroutine LoadGoverningParameters  !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
        
        subroutine PrintGoverningParameters () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
        ! This function prints governing parameters to xlg file
        !-------------------------------------------------------------------------------------------
        integer*4       :: Fuid, i
        !-------------------------------------------------------------------------------------------
                Fuid = OpenFile ( 'TMDPotGen.xlg', 'wt', '' )
                write ( unit = Fuid, fmt = '(i22,a)' ) ChiIndM, ' : ChiIndM'
                write ( unit = Fuid, fmt = '(i22,a)' ) ChiIndN, ' : ChiIndN'
                call CloseFile ( Fuid )
        end subroutine PrintGoverningParameters !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

end program TMDPotGen !*****************************************************************************