Box regularization about garnett

[bdice]

Original comment by Carl Simon Adorf (Bitbucket: csadorf, GitHub: csadorf).

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@joaander , @djulia , @bvansade Could you comment on this?

[bdice]

Original comment by Bryan Vansaders (Bitbucket: bvansade, GitHub: bvansade).

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Can you provide an example, or outline the method that you have used (the one that didn't work) to transform a set of particles to match an upper triangular box?

[bdice]

Original comment by Joshua Anderson (Bitbucket: joaander, GitHub: joaander).

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The process that Irrgang developed for normalizing boxes is as follows:

• Rotate the first lattice vector to the x axis
• Rotate the second vector into the xy plane (after rotating by step 1)
• Combine the rotations together into a composite rotation
• Rotate the particles by this rotation and wrap them back into the box

The python code exists in hmpc/util.py. Under what cases does this method fail to provide a correct configuration?

[bdice]

Original comment by Vyas Ramasubramani (Bitbucket: vramasub, GitHub: vyasr).

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None! There were some problems with what I was doing, now everything appears to be fixed in my version. I'll submit a pull request for this (the current version in glotzformats does not work).

[bdice]

Original comment by Vyas Ramasubramani (Bitbucket: vramasub, GitHub: vyasr).

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Resolved by Pull Request #30