The MC-Exchange Python package has been developed to support the dynamic bond exchange reactions (BERs) during a molecular dynamics (MD) simulation run using LAMMPS (Large-scale Atomic/Molecular ...
pair_write 1 1 1000 rsq 0.1 10.0 python.dat PYTH_A_A pair_write 2 2 1000 rsq 0.1 10.0 python.dat PYTH_B_B pair_write 1 2 1000 rsq 0.1 10.0 python.dat PYTH_A_B pair ...
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