Simulatior X
Developed by: Yatharth Bhasin Discipline of Physics IIT Indore
This is a simulation framework for carrying out metropolis monte calo simulations of Patchy Spherocylinders. The project is under continuous development.
Compile via: g++ -std=c++11 main2.cpp runparam.cpp initial.cpp updator.cpp particle_energy_calc.cpp random.cpp -pthread -o SimX
Run: ./SimX
Parameter List:
-
RunID Parameters - Generates a unique token for the run for bookkeping purposes.
- "set" #Sets the counter to the desired
- "reset" #Resets the counter to zero
- "noincrement" #Does not increment the RunID, instead adds 0.1 to the current RunID
- #Current RunID incremented by 1 compared to the previous one
-
"particles": Number of particles in the box
-
"sweeps": Number of total trial moves to be conducted
-
"checkpoints": Number of times an XYZ trajectory file is generated for all particles in the box. The checkpoints are evenly distributed w.r.t to the total sweeps "threads": Number of parallel threads that would run the same simulation box.
Eg: ./SimX sweeps 1000 particles 1000 checkpoints 5
RunID: 10 (default: -1) Sweeps: 1000 (default: 1000) Checkpoint: 5 (default: 1) Threads: 1 (default: 1) Particles in Box: 1000 (default: 100)
Notes:
- The parameters can be entered in any order.
- Additional parameters can be modified in "runparam.cpp".
- Sudo session is not recommended for running the Simulation.