jmorado / nanomc Goto Github PK

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

Monte Carlo:

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

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

• 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

To be included soon.