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It is quite simple to implement a periodic boundary condition for the sphere geometry. Actually, for any geometry that is based on the minimum image convention vector between control point and particle positions, a periodic bounady condition geometry is well defined. It is also simple to implement, since ase has a method tha lets us calculate the distance between pints and particles.
For geometries involving planes and lines however, it is not that obvious, i think, how to implement a periodic boundary condition. For now, I think we should move the periodic boundary condition logic down to the specific classes where this is an option (currently only sphere, but will also be ellipsoid.)
The text was updated successfully, but these errors were encountered:
It is quite simple to implement a periodic boundary condition for the sphere geometry. Actually, for any geometry that is based on the minimum image convention vector between control point and particle positions, a periodic bounady condition geometry is well defined. It is also simple to implement, since ase has a method tha lets us calculate the distance between pints and particles.
For geometries involving planes and lines however, it is not that obvious, i think, how to implement a periodic boundary condition. For now, I think we should move the periodic boundary condition logic down to the specific classes where this is an option (currently only sphere, but will also be ellipsoid.)
The text was updated successfully, but these errors were encountered: