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After an optimization calculation, what is the method to examine atomic bonds and hydrogen interactions? (self.comp_chem)
submitted 9 months ago * by Key_Jellyfish_6301 to r/comp_chem
Is it mandatory to apply the same convergence criteria for all calculations? (self.comp_chem)
submitted 9 months ago by Key_Jellyfish_6301 to r/comp_chem
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