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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 ...
BlaB's user avatar
  • 1,157
1 vote

Custom exponents for Lennard Jones in LAMMPS

Use pair_table to represent any pairwise potential in the form of a table
Subter's user avatar
  • 11

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