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Collab4exaNBody / exaNBody

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Error at creation using lattice with positon at 0,0,0 #79

Open lafourcadep opened 5 days ago

lafourcadep commented 5 days ago

When using the lattice command with a BCC lattice or with a custom lattice with a particle position set to (0,0,0) exactly, the distribution of that particle to cells does not work and leads to crash.

In BCC it's the same because one of the particle is at (0,0,0) and the other at (0.5,0.5,0.5) in reduced position.

Creating a branch for that specific problem which needs to be solved at the exaNBody level.

lafourcadep commented 5 days ago

Crash with exaStamp example in exaStamp/data/regression/lattice/generate_bulk_lattice.msp The example works if shift: [1e-12,1e-12,1e-12] is appended to the bulk_lattice YAML block.