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This commit is contained in:
Anthony Scemama 2017-12-08 09:45:18 +01:00
parent 4f0a90bf6a
commit 2b1d6bc9fc
1 changed files with 1 additions and 4 deletions
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plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -141,10 +141,7 @@ 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 FREE psi_average_norm_contrib pt2_stoch_istate
w(:) = 1.d0/N_states
call update_psi_average_norm_contrib(w)
SOFT_TOUCH psi_average_norm_contrib
endif endif
do k=N_det+1,N_states do k=N_det+1,N_states
pt2(k) = 0.d0 pt2(k) = 0.d0