You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
When the united atom torque matrix is all zeros, the code is giving 0 for united atom transvibrational entropy even if there are forces and there should be some vibrational entropy.
To Reproduce
Bug is in version 2.1 and 2.2.0 (possibly in earlier versions too)
Activity