Hi narenkumar23,
Here are some more details on the algorithm
From a numerical point of view, the program needs some inputs, basically:
- Number of dimensions (2 or 3)
- Number of particles
- Mass for each particle
- Coordinates for each particle
- Number of time steps
- Step size
- others?
Also, this can be read from external file or from standard input for
which you'll have to enter everything by hand :(
From a physical point of view, you may need to compute quantities like
- Kinetic Energy
- Potential Energy
- Total Energy
- Temperature
- Pressure
We compute for each pair of particles the potential using Lennard-Jones formula.
Could you give me more details on what you expect at the end, thanks!
Best regards.
Michael
*****
Hi,
I'm a software engineer with knowledge in mathematics, physics, ... and with some experiment in molecular visualization (rasmol, vtk/paraview, ...).
Maybe if you give me more details on what you expect, I can help you more :)
Best regards.
Michael