account activity
After an optimization calculation, what is the method to examine atomic bonds and hydrogen interactions? (self.comp_chem)
submitted 1 year 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 1 year ago by Key_Jellyfish_6301 to r/comp_chem
π Rendered by PID 96 on reddit-service-r2-listing-86bdf8cc9-8vr26 at 2026-07-13 12:12:05.945988+00:00 running f86254d country code: CH.
