Added file src/msspec/spec/fortran/eig/common/save_eigenvalues.f
which writes the eigenvalues to a fortran stream file called eigenvalues.dat, facilitating reading by a python script. Added call to save_eigenvalues in src/msspec/spec/fortran/eig/common/eig_mat_ms.f
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@ -178,6 +178,10 @@ CKMD WRITE(IUO1,*) ' '
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CKMD WRITE(IUO1,*) ' ---> WORK(1),INFO =',WORK(1),INFO
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CKMD WRITE(IUO1,*) ' ---> WORK(1),INFO =',WORK(1),INFO
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CKMD WRITE(IUO1,*) ' '
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CKMD WRITE(IUO1,*) ' '
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CKMD ENDIF
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CKMD ENDIF
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C
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CKMD Save eigenvalues to unformatted stream file eigenvalues.dat
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C
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call save_eigenvalues(w, jlin, e_kin)
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C
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C
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N_EIG=0
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N_EIG=0
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C
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C
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@ -0,0 +1,37 @@
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c
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c=======================================================================
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c
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subroutine save_eigenvalues (evalues, n, ke)
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c
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implicit none
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c
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integer, intent(in) :: n
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real, intent(in) :: ke
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complex*16, intent(in) :: evalues(n)
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c
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c Local variables
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c
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integer :: io
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logical :: exists
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c
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c
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inquire(file='eigenvalues.dat', exist=exists)
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c
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if (exists) then
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open(newunit=io, file='eigenvalues.dat', status='old',
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+ form='unformatted', access='stream', action='write',
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+ position='append')
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else
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open(newunit=io, file='eigenvalues.dat', status='new',
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+ form='unformatted', access='stream', action='write')
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end if
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c
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write(io) ke, n, evalues(1:n)
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c
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close(io)
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c
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return
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end subroutine save_eigenvalues
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c
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c=======================================================================
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c
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