_   _                   __  __  _____ 
| \ | |                 |  \/  |/ ____|
|  \| | __ _ _ __   ___ | \  / | |     
| . ` |/ _` | '_ \ / _ \| |\/| | |     
| |\  | (_| | | | | (_) | |  | | |____ 
|_| \_|\__,_|_| |_|\___/|_|  |_|\_____|

NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.

Features:

Monte Carlo:

• Canonical Ensemble (NVT)
• Grand Canonical Ensemble (uVT)

Installation

To compile the code simply type the following line at the main NanoMC directory

make 

To clean up the code use

make clean

or

make veryclean

Code structure:

• nanomc_nvt.f90: main program for NVT MC simulation
• nanomc_uvt.f90: main program for uVT MC simulation
• monte_carlo_module.f90: subroutines that perform core parts of uVT and NVT MC simulations
• simulation_module.f90: simulation object module
• pbc_module.f90: periodic boundary conditions module
• displacement.f90: MC displacements module
• time_module.f90: time-dependent MC module
• cell.f90: simulation cell object module
• io_module.f90: subroutines that perform input/output operations
• energy_module.f90: subroutines and functions to calculate energies
• std_output_module.f90: subroutines to print standard output
• constants_module.f90: definition of general-purpose constants

References

To be included soon.