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Wrap coordinates into fractional coordinates #464

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mattwthompson opened this issue Oct 9, 2018 · 0 comments
Open

Wrap coordinates into fractional coordinates #464

mattwthompson opened this issue Oct 9, 2018 · 0 comments

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@mattwthompson
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Some formats write coordinates into fractional coordinates, i.e. positions in each dimension are scaled by 1/L into a unitless fractional value. I think there should be a function - probably private - that does this wrapping.

An alternative approach to add this functionality would be to allow mb.Lattice to optionally populate into fractional coordinates. I am opposed to this, however, because the returned compound would have positions in unitless values, not nm.

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