Commit 9e11a155 authored by eric pellegrini's avatar eric pellegrini

Bug fix in density profile with total density profile

Bug fix in Partial charges plugin
parent 4de17327
Pipeline #391 skipped
......@@ -148,7 +148,7 @@ class DensityProfile(IJob):
dpTotal = weight(self.configuration["weights"].get_weights(),self._outputData,nAtomsPerElement,1,"dp_%s")
self._outputData.add("dp_total","line", dpTotal, axis="time", units="au")
self._outputData.add("dp_total","line", dpTotal, axis="r", units="au")
self._extent /= self.numberOfSteps
......
......@@ -108,7 +108,7 @@ class PartialChargesPlugin(UserDefinitionPlugin):
d = self._contents.setdefault(descr,[0.0,[]])
d[1].append(at.index)
else:
descr = (at.name,)
descr = (obj.name,)
d = self._contents.setdefault(descr,[0.0,[]])
d[1].append(at.index)
......
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