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msg-byu / symlib

Spacegroup finder. Includes symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and crystals.
MIT License
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Added an optional absolute tolerance to the calling interface for `minkowski_reduce_basis`. #24

Closed wsmorgan closed 5 years ago

glwhart commented 5 years ago

Instead of wrapping an unnecessary real in another int, why don't we just remove both? I doubt Absoft still has the bug (that was a long time ago).

wsmorgan commented 5 years ago

I can make that change but I won't be able to run the unit tests to figure out if that breaks anything (fortpy hasn't worked on my laptop since I upgraded OS's).

glwhart commented 5 years ago

Sounds good. We can run the unit tests after the pull. I'm not going to take time right now---I'm too thick in the enumlib unittest updates.

Gus Hart Professor, Physics and Astronomy http://msg.byu.edu Dean, Physical and Mathematical Sciences http://cpms.byu.edu

On Thu, Sep 5, 2019 at 11:20 AM Wiley Morgan notifications@github.com wrote:

I can make that change but I won't be able to run the unit tests to figure out if that breaks anything (fortpy hasn't worked on my laptop since I upgraded OS's).

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wsmorgan commented 5 years ago

I made the change.