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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -836,12 +836,8 @@ def calculate_microcanonical_rates(self):
836836 logging .log (level , ' Actual kf(%g K) = %g' , temperature , kf_actual )
837837 logging .log (level , ' Expected Keq(%g K) = %g' , temperature , Keq_expected )
838838 logging .log (level , ' Actual Keq(%g K) = %g' , temperature , Keq_actual )
839- if error :
840- raise InvalidMicrocanonicalRateError (
841- 'Invalid k(E) values computed for path reaction "{0}".' .format (rxn ), k_ratio , Keq_ratio )
842- else :
843- logging .warning ('Significant corrections to k(E) to be consistent with high-pressure limit for '
844- 'path reaction "%s".' , rxn )
839+ logging .warning ('Significant corrections to k(E) to be consistent with high-pressure limit for '
840+ 'path reaction "%s".' , rxn )
845841
846842 # import pylab
847843 # for prod in range(n_isom):
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