Barriers #111
Barriers #111
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joaander
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a team,
SchoeniPhlippsn,
tommy-waltmann and
AlainKadar
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The concept map powerpoint file appears to also be a part of this PR, I'm not sure if that was intentional or not. |
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Does it mean sphere with inside=False is not periodic across the box, but only cylindrical and planar wall are expected to be periodic(infinite)? If particles are in the non primary box image, sphere walls are not visible anymore?
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Particles are never outside the primary box image in HOOMD.
Spheres are not infinite surfaces by definition. If you were to place a sphere with a radius larger than box_L/2, then there would be discontinuities for particles near the edge of the box. Consider a radius box_L/2 + 0.1. The particle right on the box edge will still interact with the portion of the sphere just outside the box on the right edge - which would prevent it from ever exiting the primary box through the "gap".
Yes, this is intentional as documented in |
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'BoxReisize' = typo. Correct to 'BoxResize'.
Also, "... will scale the periodic box and the particle positions but leave all..." should not have a comma before "but" because that is a comma splice; there is no subject in the second clause.
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Very minor comment in the Questions section that it "molecular dynamics" is referred to by full name here but the acronym "HPMC" is used in the next section. Unimportant, but I still noticed it was inconsistent.
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"in from the edge" is awk wording. Maybe just: "...inside the edge of the box..." or a different alternative.
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Which documentation? For the specific shape? Or the specific wall? Perhaps an inclusion of the link could be helpful on the word "documentation".
On the documentation it is written:
"See the individual subclasses of hoomd.hpmc.integrate.HPMCIntegrator for their wall support." which I find slightly more clear.
Also, this is the only use of the word "inactive" in the tutorial. Maybe find a consistent word to describe the side with and with out particles. "inaccessible" or "prohibited" may be more appropriate.
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Description
Add tutorial on barriers.
Resolves: #88
Checklist: