[ctml] fix molecular geometry (nonlin -> nonlinear)

Fix list of allowed values. Remove incorrect default value.

Resolves #316.
This commit is contained in:
Ivan Mitrichev 2016-01-19 17:24:18 +03:00 committed by Ray Speth
parent 8b64b6f4f7
commit c3d154fd72

View file

@ -942,13 +942,13 @@ class gas_transport(transport):
""" """
Species-specific Transport coefficients for gas-phase transport models. Species-specific Transport coefficients for gas-phase transport models.
""" """
def __init__(self, geom = 'nonlin', def __init__(self, geom,
diam = 0.0, well_depth = 0.0, dipole = 0.0, diam = 0.0, well_depth = 0.0, dipole = 0.0,
polar = 0.0, rot_relax = 0.0, acentric_factor = None): polar = 0.0, rot_relax = 0.0, acentric_factor = None):
""" """
:param geom: :param geom:
A string specifying the molecular geometry. One of ``atom``, A string specifying the molecular geometry. One of ``atom``,
``linear``, or ``nonlin``. Required. ``linear``, or ``nonlinear``. Required.
:param diam: :param diam:
The Lennard-Jones collision diameter in Angstroms. Required. The Lennard-Jones collision diameter in Angstroms. Required.
:param well_depth: :param well_depth: