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20 lines
399 B
Fortran
20 lines
399 B
Fortran
program plot_mo
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implicit none
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integer :: i,npt
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double precision :: xmin,xmax,dx,r(3)
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double precision,allocatable :: mos_array(:)
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allocate(mos_array(mo_num))
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npt = 10000
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xmin =0.d0
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xmax =10.d0
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dx=(xmax-xmin)/dble(npt)
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r=0.d0
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r(1) = xmin
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do i = 1, npt
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call give_all_mos_at_r(r,mos_array)
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write(33,'(100(F16.10,X))')r(1),mos_array(1),mos_array(2),mos_array(3)
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r(1) += dx
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enddo
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end
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