T.Tian

Huge memory usage when calculating bonds of large MD image

1

[More detail benchmarks to be added] When loaded an MD image of ~70k atoms to batoms and change the `model_style` larger than 0, blender consumes huge amount of memory (on...

[Broken Documentation] API change for `figurefirst:mplmethods`?

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Hi Thanks a lot for the wonderful package! I really enjoyed the workflow of `FigureFirst` and is gradually checking the examples. ---------- I think the documentation for the axis methods...

Contributors / Maintainers of this repository?

14

Since I'm now mainly working in theoretical / computational materials fields, it would be great if any of the code contributors would like to maintain this repository. I can add...

New test files

10

It would be of great help if more test wdf files can be included in the repo to debug different WiRE versions / data types. @expert-git

I would like to report some testings on macOS. Following the installation guides to install `KMCLib` via `clang` + `MPI` on macOS 10.15 throws unsupported compiler error. ## Steps to...