Advanced scripting examples with PLAMS/pyCRS
********************************************

COSMO-RS is capable of calculating a wide variety of important
thermodynamic properties, but not all of those properties are easily
available from the GUI.  In this section, several scripts are provided
that calculate more complex properties and demonstrate additional
useful workflows.  These scripts can be used as they are or used as a
template to develop additional or more specific functionality.

Note:

  To ensure compatibility among the necessary python modules, it is
  recommended to use SCM's python distribution, "amspython".
  Executing the scripts in this section from the command line can be
  done simply as follows: "amspython <script_name.py>".  Those users
  with more python experience or who prefer to use their own version
  of python are welcome to use alternatives to "amspython".

**Table of Contents:**

* Changing the default parameters or re-parameterizing the COSMO-
  RS/-SAC methods

* Solubility screening for solid solute

* Screening for cocrystals

* Regression of NRTL parameters

* Automated screening of ionic liquids

* Calculating and estimating sigma profiles

* Sigma Moments

* Eutectic systems

* Binodal and Spinodal Curves

* Ternary Stability and LLE

* Distribution of species in multispecies calculations

* Automated pKa calculation
