fix spelling

This commit is contained in:
Axel Kohlmeyer
2025-01-09 14:36:18 -05:00
parent a17213fc62
commit 9f40bbc2b6

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