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Fixed print in Davdison
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e0bd14a122
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ca5f6efc93
@ -132,21 +132,21 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_
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+ 4.d0*(N_st_diag*itermax)+nproc*(4.d0*N_det_alpha_unique+2.d0*N_st_diag*sze)))/(1024.d0**3)
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call write_double(iunit, r1, 'Memory(Gb)')
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write(iunit,'(A)') ''
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write_buffer = '===== '
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write_buffer = '===='
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do i=1,N_st
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write_buffer = trim(write_buffer)//' ================ =========== ==========='
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enddo
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write(iunit,'(A)') trim(write_buffer)
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write(iunit,'(A)') write_buffer(1:6+41*N_states)
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write_buffer = 'Iter'
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do i=1,N_st
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write_buffer = trim(write_buffer)//' Energy S^2 Residual '
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enddo
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write(iunit,'(A)') trim(write_buffer)
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write_buffer = '===== '
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write(iunit,'(A)') write_buffer(1:6+41*N_states)
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write_buffer = '===='
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do i=1,N_st
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write_buffer = trim(write_buffer)//' ================ =========== ==========='
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enddo
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write(iunit,'(A)') trim(write_buffer)
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write(iunit,'(A)') write_buffer(1:6+41*N_states)
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allocate( &
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