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Fixed mrcc stoch

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This commit is contained in:
Anthony Scemama 2018-01-10 19:30:02 +01:00
parent 30235b45a1
commit 2550047bb2
1 changed files with 4 additions and 6 deletions
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plugins/mrcepa0/mrcc_stoch_routines.irp.f
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@ -32,17 +32,15 @@ subroutine ZMQ_mrcc(E, mrcc, delta, delta_s2, relative_error)
double precision, external :: omp_get_wtime
double precision :: time
double precision :: w(N_states)
state_average_weight(:) = 0.d0
state_average_weight(mrcc_stoch_istate) = 1.d0
TOUCH state_average_weight
provide nproc fragment_first fragment_count mo_bielec_integrals_in_map mo_mono_elec_integral mrcc_weight psi_selectors
w(:) = 0.d0
w(mrcc_stoch_istate) = 1.d0
call update_psi_average_norm_contrib(w)
print *, '========== ================= ================= ================='