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Removed dummy solvent from solvent library
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input/solvation/libraries/solvent.py

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@@ -8715,53 +8715,3 @@
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Rani, K. Y. (2007) Viscosity of Liquids. Springer, The Netherlands: Dordrecht.
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""",
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)
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entry(
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index = 204,
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label = "dummy solvent",
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molecule = "O",
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solvent = SolventData(
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# Abraham gas-to-solvent parameters for solvation free energy (dGsolv) correction at 298K
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s_g = 0,
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b_g = 0,
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e_g = 0,
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l_g = 0,
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a_g = 0,
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c_g = 0,
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# Mintz parameters for solvation enthaly (dHsolv) correction at 298K
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s_h = 0,
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b_h = 0,
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e_h = 0,
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l_h = 0,
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a_h = 0,
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c_h = 0,
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# viscosity parameters
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A = 0,
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B = 0,
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C = 0,
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D = 0,
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E = 0,
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# These are SOLUTE parameters that can be potentially used for intrinsic rate correction in H-abstraction rxns
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alpha = None,
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beta = None,
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# Dielectric constant
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eps = 1,
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#index of refraction
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n = 1,
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# Name of the solvent used in the external fluid property calculation package, CoolProp.
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name_in_coolprop = "water",
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),
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# The number of data used to fit the Abraham and Mintz parameters and their associated solvation free energy and
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# solvation enthalpy mean absolute error.
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dataCount = DataCountSolvent(
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dGsolvCount = 5224,
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dGsolvMAE = (0,'kcal/mol'),
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dHsolvCount = 58,
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dHsolvMAE = (0,'kcal/mol'),
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),
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shortDesc = u""" """,
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longDesc =
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u"""
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This is a dummy solvent with no Abraham and Mintz parameters for debugging.
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""",
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)

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