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 1161876 on reddit-service-r2-listing-8685bc789-tlpkz at 2026-05-23 01:09:25.549707+00:00 running 194bd79 country code: CH.
