Tools to render quantum mechanical datasets using blender
These tools should compile either using clang or gcc.
cubealign.c has to be linked agains a lapack library, i.e. Apple's Veclib, Atlas or Intels Math Kernel Library
raw2img.py requires the python imaging library to be installed
High resolution images, and a sample Gaussian Cube dataset can further be found here. The sample Guassian cube file has to be rebuild first due to the limitations of github. In order to do this:
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Download the gpv001-500.cube.xzaa, pv001-500.cube.xzab, gpv001-500.cube.xzac files
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Join the either using the "cat" or the "join" command.
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Extract the cube from the resulting xz file using the "unxz" command
Binaries of the tools are provided for the 64 bit linux platform. If you encounter difficulties running them on your distribution or unix system please feel free to recompile them from the provided sources.