rk-fit

Curve fitting of ternary Redlich-Kister equation.

Redlich-Kister equation

@TODO: write a section about Redlich-Kister equation.

Requirements

rk-fit depends on the lmfit python library. It performs Levenberg-Marquardt algorithm curve fitting algorithm and many more - take a look at their site.

In order to install it type:

$ sudo apt install python-pip
$ pip install numpy lmfit

Exec

There is an executable file called rk-fit that can run the rk-fit program. To run it specify an input config file:

$ ./rk-fit <path_to_config_file>

Input samples

There are 4 samples of how to config rk-fit:

• config/water_meg.json
• config/water_nacl.json
• config/meg_nacl.json
• config/ternary.json

To test one of them do the following:

$ ./rk-fit config/water_meg.json

All output written to stdout will be write to config/water_meg.out file simultaneously.

Enjoy!