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error when setting initialtemperature in creation of Dynamics object #5
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Should be fixed in commit 06d46a9 to public branch |
Closing as now resolved. |
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This was referenced Jun 30, 2021
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Traceback (most recent call last):
File "run-model-test.py", line 42, in
import test # import and run the current test
File "../tests/liquid/test.py", line 32, in
dyn_heat = quippy.Dynamics(bulk, 0.5*ase.units.fs, initialtemperature=5000.0, trajectory=None)
File "/usr/local/quip/2015-06-03/mkl/lib64/python/quippy/dynamicalsystem.py", line 186, in init
if not all(abs(self._ds.atoms.velo) < 1e-3):
ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()
Removing the initialtemperature specification allows this statement to work fine.
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