Meso-scale Polarizable Model

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1

Hello,

I am trying to model an SPH Meso-scale Polarizable system, what can I use to do that? So far it seems my options are QEQ or Drude Induced Dipoles, but at least with QEQ it has been difficult to get it to work with a hybrid atom style of meso and charge. Are there any examples of available for this type of simulation?

Thanks,

Josh Cordon

2

Hello,

I am trying to model an SPH Meso-scale Polarizable system, what can I use
to do that? So far it seems my options are QEQ or Drude Induced Dipoles,
but at least with QEQ it has been difficult to get it to work with a hybrid
atom style of meso and charge. Are there any examples of available for this
type of simulation?

​not within the LAMMPS distribution. ​

the best bet for something like this is to scan the published literature
for examples of this and look at what people did to implement the model
(and which codes they used).

​axel.​