fix spelling
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@ -108,10 +108,11 @@ updated frequently enough. Then the smeared charges cannot be fully
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assigned to the density grid for all atoms. LAMMPS checks for this
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condition and stops with an error. Most of the time, this is an
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indication of a system with very high forces, most often at the
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beginning of a simulation or when boundary conditions are changed.
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beginning of a simulation or when boundary conditions are changed. The
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error becomes more likely with more MPI processes.
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There are multiple options to explore for avoiding the error. The best
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choice dependa strongly on the individual system, and often a
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choice depends strongly on the individual system, and often a
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combination of changes is required. For example, more conservative MD
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parameter settings can be used (larger neighbor skin, shorter time step,
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more frequent neighbor list updates). Sometimes, it helps to revisit
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