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add line to stop RMG early to fail regression test on purpose
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rmgpy/rmg/main.py

Lines changed: 2 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -912,6 +912,8 @@ def execute(self, initialize=True, **kwargs):
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self.reaction_model.iteration_num += 1
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self.done = True
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if self.reaction_model.iteration_num > 2:
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break
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if self.generate_seed_each_iteration:
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self.make_seed_mech()
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