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Add a debug module #131

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srmnitc opened this issue May 20, 2024 · 0 comments

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srmnitc commented May 20, 2024

Add a debug module to see if issues are caused by underlying libraries.

Call lammps python directly through, see if that works on single core
run a mpi4py + lammps python parallel run
run pylammpsmpi calculation
run a very small calphy test calculation

srmnitc added the enhancement label

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