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JonMcCullough / HemePure_tools

BSD 3-Clause "New" or "Revised" License
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Modified the voxelizer and auxiliary tools #6

Closed bjoo closed 10 months ago

bjoo commented 10 months ago

This commit should contain my modified voxelizer code. I also made changes to hemeLBPreprocSingle.py which I called hemeLBpreprocSingle_Slurm.py. The primary novelty here is that we can add the number of processes per node as well to the command line. The slurm commands are set up for frontier.

I added Makefile.frontier for vx2gmy and gmy2lets

For the actual voxelizer code, apart from the new .cpp file I added a 'Makefile.frontier' and an env_frontier.sh which should load all the goodies.

Please test before merging, to make sure I haven't messed up.