[ase-users] NPT temperature setting

[Wang Riping]

When I use the following lines to setting the temperature to be 300 K for NPT calculations, it gives the temperture in md.log file 0 K.

from ase.md.npt import NPT
dyn = NPT(atoms, 5*units.fs, 300, numpy.array([-100,-100,-100,0,0,0]), None, None)



When I use

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