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Fixed multi-state

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Anthony Scemama 2017-11-21 15:52:16 +01:00
parent c63d4255d7
commit 32614df72b
1 changed files with 3 additions and 0 deletions
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plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -116,6 +116,9 @@ subroutine ZMQ_pt2(E, pt2,relative_error, absolute_error, error)
deallocate(pt2_detail, comb, computed, tbc) deallocate(pt2_detail, comb, computed, tbc)
enddo enddo
pt2_stoch_istate = 1 pt2_stoch_istate = 1
w(:) = 1.d0/N_states
call update_psi_average_norm_contrib(w)
SOFT_TOUCH psi_average_norm_contrib
endif endif
end subroutine end subroutine