periodic boundary conditions
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Pär Söderhjelm
May 10, 2017, 10:08:39 AM5/10/17
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Hello,
The feature I'm missing most in the MD2D model is periodic boundary conditions. I'm letting the students look at phases and estimate diffusion coefficients and radial distribution functions. Having bouncing walls makes all these things much more artificial and complicated.
Does anyone know if periodic boundary conditions have been implemented in some private version? If not, what would be the easiest way? I'm looking for something that can be done in an afternoon or so, but maybe that's too optimistic. It is tempting to just create another version of the "bounceParticleOffWalls" function and try to implement this functionality, but maybe it would be better to reuse code that is already present in the java version of the model?
Any advice is appreciated.
Best regards,
Pär
The feature I'm missing most in the MD2D model is periodic boundary conditions. I'm letting the students look at phases and estimate diffusion coefficients and radial distribution functions. Having bouncing walls makes all these things much more artificial and complicated.
Does anyone know if periodic boundary conditions have been implemented in some private version? If not, what would be the easiest way? I'm looking for something that can be done in an afternoon or so, but maybe that's too optimistic. It is tempting to just create another version of the "bounceParticleOffWalls" function and try to implement this functionality, but maybe it would be better to reuse code that is already present in the java version of the model?
Any advice is appreciated.
Best regards,
Pär
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