commit
39ba8c3983
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@ -747,15 +747,15 @@ class SpecIO(object):
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content += line
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nat = p.extra_nat
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nra_arr = np.ones((nat), dtype=np.int)
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nra_arr = np.ones((nat), dtype=int)
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thfwd_arr = np.ones((nat))
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path_filtering = p.extra_parameters['calculation'].get_parameter(
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'path_filtering').value
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if (path_filtering is not None and
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'backward_scattering' in path_filtering):
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ibwd_arr = np.ones((nat), dtype=np.int)
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ibwd_arr = np.ones((nat), dtype=int)
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else:
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ibwd_arr = np.zeros((nat), dtype=np.int)
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ibwd_arr = np.zeros((nat), dtype=int)
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thbwd_arr = np.ones((nat))
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for at in p.extra_atoms:
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i = at.get('proto_index') - 1
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@ -303,7 +303,7 @@ class _MSCALCULATOR(Calculator):
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wf = 4.5
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source_energy = self.source_parameters.get_parameter('energy').value
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ke = source_energy - binding_energy - wf
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#return np.array(ke, dtype=np.float).flatten()
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#return np.array(ke, dtype=float).flatten()
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return ke
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@ -1322,8 +1322,8 @@ class ScanParameters(BaseParameters):
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# LOGGER.error('Incompatible options!')
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# raise ValueError(msg)
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# p._value = np.array(p.value, dtype=np.float).flatten()
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arr = np.array(p.value, dtype=np.float).flatten()
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# p._value = np.array(p.value, dtype=float).flatten()
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arr = np.array(p.value, dtype=float).flatten()
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theta0 = arr[0]
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theta1 = arr[-1]
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@ -1357,7 +1357,7 @@ class ScanParameters(BaseParameters):
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# LOGGER.error('Incompatible options')
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# raise ValueError(msg)
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arr = np.array(p.value, dtype=np.float).flatten()
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arr = np.array(p.value, dtype=float).flatten()
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phi0 = arr[0]
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phi1 = arr[-1]
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