Enquiry about the calculation of harmonic spring energies

[Qixuan LI]

Dear HOOMD-Blue users,

I am a beginner of HOOMD-Blue and I am doing Monte Carlo simulation of hard dumbbells by HOOMD-Blue. 

I am a question: Could the harmonic spring energies be calculated by using Frenkel-Ladd method in HOOMD-Blue? I have realized that I should use hoomd.hpmc.external.field.ExternalField, but I don' t know exactly whether I can obtain the value of harmonic spring energies in this program? And how can I output this value?

Best regards,

Qixuan

[Joshua Anderson]

Qixuan,

The Harmonic class has the property `energy`: https://hoomd-blue.readthedocs.io/en/v3.9.0/module-hpmc-external-field.html#hoomd.hpmc.external.field.Harmonic.energy

See the Logging tutorial to learn how to use loggable properties: https://hoomd-blue.readthedocs.io/en/v3.9.0/tutorial/02-Logging/00-index.html

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

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