63 lines
3.1 KiB
Fortran
63 lines
3.1 KiB
Fortran
program TMDPotGen !*********************************************************************************
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!
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! Stand-alone generator of files containing tubular potential data for single-walled CNTs.
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!
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!---------------------------------------------------------------------------------------------------
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!
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! Intel Fortran
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!
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! Alexey N. Volkov, University of Alabama, avolkov1@ua.edu, Version 13.00, 2020
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!
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!***************************************************************************************************
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use TubePotMono
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implicit none
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!---------------------------------------------------------------------------------------------------
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! Global variables
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!---------------------------------------------------------------------------------------------------
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integer*4 :: ChiIndM = 10 ! Chirality index m of nanotubes
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integer*4 :: ChiIndN = 10 ! Chirality index n of nanotubes
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!---------------------------------------------------------------------------------------------------
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! Body
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!---------------------------------------------------------------------------------------------------
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TPMStartMode = 0
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! Reading and printing of governing parameters
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call LoadGoverningParameters ()
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call PrintGoverningParameters ()
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call TPBInit ()
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call TPMInit ( ChiIndM, ChiIndN )
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contains !------------------------------------------------------------------------------------------
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subroutine LoadGoverningParameters () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! This function reads governing parameters from xdt file
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!-------------------------------------------------------------------------------------------
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integer*4 :: Fuid, i
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character*512 :: Msg
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!-------------------------------------------------------------------------------------------
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Fuid = OpenFile ( 'TMDPotGen.xdt', 'rt', '' )
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read ( unit = Fuid, fmt = '(i22)' ) ChiIndM
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read ( unit = Fuid, fmt = '(i22)' ) ChiIndN
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call CloseFile ( Fuid )
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end subroutine LoadGoverningParameters !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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subroutine PrintGoverningParameters () !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! This function prints governing parameters to xlg file
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!-------------------------------------------------------------------------------------------
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integer*4 :: Fuid, i
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!-------------------------------------------------------------------------------------------
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Fuid = OpenFile ( 'TMDPotGen.xlg', 'wt', '' )
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write ( unit = Fuid, fmt = '(i22,a)' ) ChiIndM, ' : ChiIndM'
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write ( unit = Fuid, fmt = '(i22,a)' ) ChiIndN, ' : ChiIndN'
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call CloseFile ( Fuid )
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end subroutine PrintGoverningParameters !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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end program TMDPotGen !*****************************************************************************
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