2
votes
Implementation of basic example in LAMMPS
It seems your questions is more on "How to debug that error" than on the error itself. If you wish me to look into the error specifically, I will do this, I promise :).
Otherwise, it is great to ...
1
vote
Custom exponents for Lennard Jones in LAMMPS
Use pair_table to represent any pairwise potential in the form of a table
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