How to set starting and ending temperacture in NPT or NVT simulation?

[WeiCheChang]

Hello everyone, I'm new to Hoomd and I need some help with NPT simulation.

I want to run an NPT from temperature 1.0 to 0.35, however,

class hoomd.md.methods.NPT(filter, kT, tau, S, tauS, couple, box_dof=[True, True, True, False, False, False], rescale_all=False, gamma=0.0)

I don't know how to set. The type of KT is hoomd.variant.Variant but I don't see any example of this type. Do I need to write a function for temperature?

Thanks.

[Joshua Anderson]

WeiCheChang,

Did you click the link to the "variant-like" documentation from NPT? There is a whole page with complete details. Otherwise, try searching:

https://hoomd-blue.readthedocs.io/en/v3.11.0/search.html?q=variant&check_keywords=yes&area=default, or reading the "Introducing HOOMD-blue" tutorial.

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

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