10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 12:23:48 +01:00
This commit is contained in:
Anthony Scemama 2017-12-08 09:45:18 +01:00
parent 4f0a90bf6a
commit 2b1d6bc9fc

View File

@ -141,10 +141,7 @@ subroutine ZMQ_pt2(E, pt2,relative_error, absolute_error, error)
deallocate(pt2_detail, comb, computed, tbc)
enddo
pt2_stoch_istate = 1
w(:) = 1.d0/N_states
call update_psi_average_norm_contrib(w)
SOFT_TOUCH psi_average_norm_contrib
FREE psi_average_norm_contrib pt2_stoch_istate
endif
do k=N_det+1,N_states
pt2(k) = 0.d0