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mir-group / nequip

NequIP is a code for building E(3)-equivariant interatomic potentials
https://www.nature.com/articles/s41467-022-29939-5
MIT License
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how to choose nosehoover the value of nvt_q❓ [QUESTION] #397

Open hanjiahe1999 opened 6 months ago

hanjiahe1999 commented 6 months ago

how to choose nosehoover the value of nvt_q? In your project, you choose it 334, how did you select this value?