In this directory you will find sample simulation files for Monte-Carlo (MC) simulations for computing excess entropy of Wang-Frenkel potential. The details regarding the MC simulations and derivations can be found in the main manuscript: https://doi.org/10.1080/00268976.2025.2456115

MC simulations use in-house fortan code which can found in the source directory under MC directory.

Simulation input script and output files can be found in Run directory.

The simulation inputs like temperature (Temp), lambda (Lambda), boxsize (Box), Number of cyles (Ncycles) can be controlled in the run file.

Simulation outputs like radial distribution function and its intergal to compute excess entropy can be found in the Radial and Integral files.



The WF directory contains the fortan code of Wang-Frenkel potential