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Added the virial callback to the lammps backend #310

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Added the virial callback to the lammps backend #310

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5 changes: 5 additions & 0 deletions pysages/backends/lammps.py
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Original file line number Diff line number Diff line change
Expand Up @@ -83,6 +83,11 @@ def update(timestep):

self.set_callback(update)

def virial_from_method(virial):
#virial = sampling_method.get_virial()

self.set_virial_callback(virial_from_method)

def _partial_snapshot(self, include_masses: bool = False):
positions = from_dlpack(dlext.positions(self.view, self.location))
types = from_dlpack(dlext.types(self.view, self.location))
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