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Fix incorrect reshape for multi-device evaluation in evaluate_observable #93

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Fix incorrect reshape for multi-device evaluation in evaluate_observable #93

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8 changes: 5 additions & 3 deletions jVMC/operator/povm.py
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Original file line number Diff line number Diff line change
Expand Up @@ -313,6 +313,8 @@ def evaluate_observable(self, operator, states):
Obtain X, Y and Z magnetizations and their correlators up to the specified length in ``system data["L"]``.
Note that this function assumes translational invariance and averages the results obtained for single spins.
"""

ndev = global_defs.myDeviceCount

if self.system_data["dim"] == "1D":
resPerSamplePerSpin = self._evaluate_magnetization_pmapd(operator, states)
Expand All @@ -323,12 +325,12 @@ def evaluate_observable(self, operator, states):
correlators[corrLen] = self._spin_average_pmapd(corrPerSamplePerSpin)
return self._spin_average_pmapd(resPerSamplePerSpin), correlators
else:
resPerSamplePerSpin = self._evaluate_magnetization_pmapd(operator, states.reshape(1, -1, self.system_data["L"]**2)).reshape(1, -1, self.system_data["L"], self.system_data["L"])
resPerSamplePerSpin = self._evaluate_magnetization_pmapd(operator, states.reshape(ndev, -1, self.system_data["L"]**2)).reshape(ndev, -1, self.system_data["L"], self.system_data["L"])
correlators = {}
for corrLen in np.arange(self.system_data["L"]):
corrPerSamplePerSpin = self._evaluate_correlators_pmapd(resPerSamplePerSpin, corrLen)
correlators[corrLen] = self._spin_average_pmapd(corrPerSamplePerSpin.reshape(1, -1, self.system_data["L"]**2))
return self._spin_average_pmapd(resPerSamplePerSpin.reshape(1, -1, self.system_data["L"]**2)), correlators
correlators[corrLen] = self._spin_average_pmapd(corrPerSamplePerSpin.reshape(ndev, -1, self.system_data["L"]**2))
return self._spin_average_pmapd(resPerSamplePerSpin.reshape(ndev, -1, self.system_data["L"]**2)), correlators


class POVMOperator(Operator):
Expand Down