Updating keyword order in ctml_writer.py species::__init__
The keyword `standardState` was added to species::__init__ in ctml_writer.py. This moves this keyword entry to the end of the list of keywords, so that species instances of the class do not need to reorder their keyword order.
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1 changed files with 5 additions and 5 deletions
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@ -528,9 +528,9 @@ class species(object):
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note = '',
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thermo = None,
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transport = None,
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standardState = None,
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charge = -999,
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size = 1.0):
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size = 1.0,
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standardState = None):
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"""
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:param name:
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The species name (or formula). The name may be arbitrarily long,
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@ -557,9 +557,6 @@ class species(object):
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and must be consistent with the transport model of the phase into which
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the species is imported. To specify parameters for multiple
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transport models, group the entries in parentheses.
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:param standardState:
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The species standard state model. Currently used only for IdealSolidSolution and derived
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classes where it is used to calculate the phase density.
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:param size:
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The species "size". Currently used only for surface species,
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where it represents the number of sites occupied.
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@ -567,6 +564,9 @@ class species(object):
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The charge, in multiples of :math:`|e|`. If not specified, the
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charge will be calculated from the number of "atoms" of element
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``E``, which represents an electron.
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:param standardState:
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The species standard state model. Currently used only for IdealSolidSolution and derived
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classes where it is used to calculate the phase density.
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"""
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self._name = name
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self._atoms = getAtomicComp(atoms)
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