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This clearly separates the bonded and non-bonded interactions which is of importance for the various thermodynamic contributions investigated in sect. sec_res. Note that some implementations of the KG model, as the recent version of the LAMMPS code, allow to view the LJ interactions between bonded monomers as intrachain contributions.
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45.
Plotting P
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46.
Since the non-bonded interactions get more important at higher densities, these numerical problems become irrelevant for ρ ≥ 0.25. The data points given in fig. 6 and the main panel of fig. 7 all refer to the best δt-independent thermodynamic relevant values available.
47.
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48.
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49.
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