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Added overwrite_with_cas
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8
stable/cassd/overwrite_with_cas.irp.f
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8
stable/cassd/overwrite_with_cas.irp.f
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program overwrite_w_cas
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read_wf = .True.
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TOUCH read_wf
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call extract_cas
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call save_wavefunction
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end
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12
stable/utilities/print_basis.irp.f
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12
stable/utilities/print_basis.irp.f
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program print_basis
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implicit none
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BEGIN_DOC
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! Truncate the wave function
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END_DOC
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integer :: i,j
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do i=1,ao_num
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do j=1,ao_prim_num(i)
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print *, i, j, ao_coef_normalized(i,j), ao_expo(i,j)
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enddo
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enddo
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end
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