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Fix out-of-bounds

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Anthony Scemama 2018-07-27 17:01:00 +02:00
parent 92b9515f24
commit ffb591f6d7
1 changed files with 1 additions and 0 deletions
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plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -344,6 +344,7 @@ subroutine pt2_collector(zmq_socket_pull, E, b, tbc, comb, Ncomb, computed, pt2_
eqt = sqrt(1d0 / (Nabove(tooth)-1.d0) * abs(sum2above(tooth) / Nabove(tooth) - (sumabove(tooth)/Nabove(tooth))**2)) eqt = sqrt(1d0 / (Nabove(tooth)-1.d0) * abs(sum2above(tooth) / Nabove(tooth) - (sumabove(tooth)/Nabove(tooth))**2))
else else
eqt = 0.d0 eqt = 0.d0
tooth=comb_teeth
endif endif
call wall_time(time) call wall_time(time)
if ( ((dabs(eqt/avg) < relative_error) .or. (dabs(eqt) < absolute_error)) .and. Nabove(tooth) >= 10.d0) then if ( ((dabs(eqt/avg) < relative_error) .or. (dabs(eqt) < absolute_error)) .and. Nabove(tooth) >= 10.d0) then