4 votes

Advantages/Disadvantages of Qeq over Drude polarizable model?

The three main polarization models are Qeq, Drude and induced dipole. The Qeq is a charge-polarization, while the other two are dipole-polarizations. The Drude and ID are essentially equivalent, and ...
Frank Jensen's user avatar
  • 1,701
3 votes

How to write the REBO force field

If I remember correctly, the CHO extension of the REBO force field (which was further updated in a later publication) also introduces some changes in formalism, which in turn are not implemented in ...
Kristof Bal's user avatar
  • 1,126

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