mirror of https://github.com/abinit/abipy.git
Fix sigres unit test
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@ -922,16 +922,17 @@ class SigresFile(AbinitNcFile, Has_Structure, Has_ElectronBands, NotebookWriter)
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return Marker(*(x, y, s))
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@lazy_property
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def params(self):
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"""AttrDict dictionary with the GW convergence parameters, e.g. ecuteps"""
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return self.reader.read_params()
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#@lazy_property
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#def params(self):
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# """:class:`OrderedDict` with parameters that might be subject to convergence studies."""
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# od = self.get_ebands_params()
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# return od
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# """AttrDict dictionary with the GW convergence parameters, e.g. ecuteps"""
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# return self.reader.read_params()
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@lazy_property
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def params(self):
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""":class:`OrderedDict` with parameters that might be subject to convergence studies e.g ecuteps"""
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od = self.get_ebands_params()
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od.update(self.reader.read_params())
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return od
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def close(self):
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"""Close the netcdf file."""
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@ -1775,7 +1776,7 @@ class SigresReader(ETSF_Reader):
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def read_params(self):
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"""
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Read the parameters of the calculation.
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Returns: |AttrDict| instance with the value of the parameters.
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Returns: OrderedDict with the value of the parameters.
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"""
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param_names = [
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"ecutwfn", "ecuteps", "ecutsigx", "scr_nband", "sigma_nband",
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@ -1784,13 +1785,13 @@ class SigresReader(ETSF_Reader):
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# Read data and convert to scalar to avoid problems with pandas dataframes.
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# Old sigres files may not have all the metadata.
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params = AttrDict()
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params = OrderedDict()
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for pname in param_names:
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v = self.read_value(pname, default=None)
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params[pname] = v if v is None else np.asscalar(v)
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# Other quantities that might be subject to convergence studies.
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params["nkibz"] = len(self.ibz)
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#params["nkibz"] = len(self.ibz)
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return params
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