How to make the system reach steady state as soon as possible when run Deep Potential MD using lammps?
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chunweizhu
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I have trained an alloy deep potential model using
dpgenand evaluated the model's accuracy.During the NPT molecular dynamics (MD) simulations using
LAMMPS, the alloy system did not reach a steady stateas as soon as possible, despite running 10^6 steps with a duration of 2 fs per step.Are there any suggestion to accelerate the system to reach a steady state?
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