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@ -38,12 +38,12 @@ subroutine run(N_st,energy)
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do while (delta_E > thresh_mrcc)
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iteration += 1
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print *, '==============================================='
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print *, 'MRCEPA0 Iteration', iteration, '/', n_it_mrcc_max
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print *, 'Iteration', iteration, '/', n_it_mrcc_max
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print *, '==============================================='
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print *, ''
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E_old = sum(ci_energy_dressed(1:N_states))
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do i=1,N_st
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call write_double(6,ci_energy_dressed(i),"MRCEPA0 energy")
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call write_double(6,ci_energy_dressed(i),"Energy")
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enddo
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call diagonalize_ci_dressed(lambda)
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E_new = sum(ci_energy_dressed(1:N_states))
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@ -61,7 +61,7 @@ subroutine run(N_st,energy)
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exit
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endif
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enddo
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call write_double(6,ci_energy_dressed(1),"Final MRCEPA0 energy")
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call write_double(6,ci_energy_dressed(1),"Final energy")
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endif
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energy(1:N_st) = ci_energy_dressed(1:N_st)
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end
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