Settings

	Tools > Settings
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The Settings menu shows Settingform where you can set following parameters.

Extrapolation of the thermodynamic data beyond available temperature range

When the temperature for an equilibrium calculation is beyond available temperature range of the thermodynamic data of a compound, you can extrapolate the data beyond the range (ON), or oust the compound from the system (OFF).
ON for non-aqueous species, and OFF for aqueous species by default.

Initial value(mol) for Partial Pressure Settings (Default is 1E+3)

When you set initial value of some compound as partial pressure in Helmholtz mode, program automatically use this value as initial mol value to be supplied. Note that even if this large value is supplied, calculation may fail to achieve specified partial pressure for the specified gas compound in unreasonable settings.

Initial value(mol) for Molality Settings (Default is 1E+1)

When you set initial value of some aqueous compound as molality in aqueous system, program automatically use this value as initial mol value to be supplied. Note that even if this large value is supplied, calculation may fail to achieve specified molality for the solute in unreasonable settings.

Number for Too Many Rounds (Default is 100)

Calculation of convergence for 1 equilibrium point will be stopped when the number of rounds calculation made goes beyond this parameter without success of convergence. See Status of Convergence. You can try more calculation rounds to achieve the convergence by increasing this parameter. See also the Difficulty of convergence.