Adding cfg2x3d for converting cfg files to x3d files for easy viewing.#22
Adding cfg2x3d for converting cfg files to x3d files for easy viewing.#22gyf304 wants to merge 2 commits into
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This would be a nice feature to add to the code - thanks! However, it is built of the ancient master branch and since then the implementation of the atom spin positions has changed significantly (on develop branch). Would it be possible to update based on the new version in develop? If so we can ship this with the next release for everybody. All the best, Richard |
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No problem, I will look into it. Can you drop me a sample file, if convenient? Getting the dev branch to compile on my Mac can be a hassle. Regards, |
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Hi Yifan, sure - here is an example. However, I guess the trick is enabling support for parallel files, which can now also be done in binary format - would these be supported or not? Regarding compiling this should be straightforward - did you try make serial-llvm? All the best, Richard |
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cfg2x3d also supports cells files.
Coloring is based on cartesian vector direction. Red: x, Green: y, Blue: z.
Also included is a simple x3d file viewer (made using x3dom).
To use:
python3 cfg2x3d.py [atoms/cells] CELLS_OR_ATOMS_DATA_CFG CELLS_OR_ATOMS_COORDS_CFGExamples:
python3 cfg2x3d.py cells test/cells-00000000.cfg test/cells-coords.cfgpython3 cfg2x3d.py atoms test/atoms-00000000.cfg test/atoms-coords.cfg