Bug Report
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)
Bug Report
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)