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42 lines
1.4 KiB
Fortran
42 lines
1.4 KiB
Fortran
program trial_reading
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use iso_fortran_env
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use periodic_table, only: atom_t, element
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integer :: nalpha, nbeta, nelectrons, ndeterminants, nexcitation
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character(40) :: temp1, temp2, temp3, fmt
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real(selected_real_kind(6,15)), allocatable :: det_coeff(:)
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integer, target :: irn
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integer, pointer :: rand_seed => irn
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type(atom_t) :: atom1
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atom1 = element("sulfur")
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print*, "atom info name ", atom1%name
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print*, "atom info symbol ", atom1%symbol
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print*, "atom info mass ", atom1%atomic_mass
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print*, "atom info charge ", atom1%znuclear
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print*, atom1
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irn = 132432
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print *, "irn ", irn
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print *, "rand_seed ", rand_seed
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open (unit=11,file='TZ_1M_500.det', iostat=iostat, action='read' )
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read(11,*) temp1, temp2, nelectrons, temp3, nalpha
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write(*,'(a,1x,i3,1x,i3)') "write after read1", nelectrons, nalpha
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read(11,*) temp1, ndeterminants, nexcitation
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allocate(det_coeff(ndeterminants))
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write(*,'(a,1x,i3, 1x, i3)') "write after read2", ndeterminants, nexcitation
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read(11,*) (det_coeff(i), i=1,500)
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write(fmt,*) '(', ndeterminants, '(f11.8,1x))'
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write(*,fmt) (det_coeff(i), i=1,500)
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! write(*,'(<ndeterminants>(f10.8, 1x))') (det_coeff(i), i=1,ndeterminants)
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close(11)
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end program |