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paduagroup / clandpol

Polarisable force field for ionic liquids
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Pair-Drude file #9

Closed kateryna-goloviznina closed 3 years ago

kateryna-goloviznina commented 3 years ago

@agiliopadua, do we actually need a separate pair-drude.lmp file if the pair_coff are included to pair-p.lmp anyway?

agiliopadua commented 3 years ago

No

kateryna-goloviznina commented 3 years ago

I will remove it and write all the pair_coeff directly to pair-p.lmp.

agiliopadua commented 3 years ago

I've made my mind on this. I think it is simpler just to write the new terms for the drude particles as in the old version.