Austin Gerlt

Results 70 comments of Austin Gerlt

> Did you consider VisPy Good point. Classically (and this is not fact based, just purely anecdotal). I've had better luck with glumpy, but vispy appears much more stable. I...

Sounds good, I'm glad someone had a similar thought. I started a PR but didn't like my implementation and then got pulled other directions. Plus, it seems more people are...

@ZackAttack614, Sorry for the slow response. It is, but it took a major back seat to other work. I can submit a PR of how I think such the class...

Choice two is given as the default by the international tables of crystallography (page 688 in the 4th edition). Exact wording is: Origin at -4 3 m , at -1/8,...

> Where you place the origin is an arbitrary choice. Changing the origin will have no effect on the material properties. The structure factor, density etc. will remain the exact...

Fair enough, you are right. I suppose my point is at the end of the day, everything in crystallography is "just a convention", so if we don't all rigorously follow...

I can't tell if any change was actually made, but I think as long as a crystal structure generated from both [this CIF test file](tests/data/materials/Si.cif) as well as [a JSON...

Just to add to this: mtex doesn't just put points into the fundamental zone to find the mean. It starts with that, but then it finds the approximate mean, calculates...

I'm going through old PR's and saw this post right after messing with the `crystal_map` tutorial. > Great! But, we should avoid that warning. There seems to be some inconsistency...

> An alternative would be to sample the histogram initially on an equal angle (uv) grid, apply the gaussian filter on the equal angle grid, and resample this grid to...