Open Cynthia-0807 opened 11 months ago
You may wait until you finish your PChem course. You'll learn Ek=Nf/2 R T.
You may wait until you finish your PChem course. You'll learn Ek=Nf/2 R T.
emmm.....I don't want to know how to calculate the temperature, but think this may be a bug.
Would you please further clarify? Thank you.
Would you please further clarify? Thank you.
- [ ] I thought not having T printed in the log was a bug.
- [ ] I still found no way to monitor the T in the simulation.
- [ ] Both.
the first one
This is a design decision.
If calculating and printing temperature does not give more information than the instantaneous kinetic energy does and it would be more error-prone to determine the correct degrees of freedom in different situations, why do we bother?
this is what my log file print out during nvt ensemble simulation:
It doesn‘t print out temperature, so how I monitor the temperature during the simulation?