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Hi,
I was wondering whether there is an option to set tail corrections only for a given pairs of atoms? In RASPA2 it could be done with force_field.def file:
# rules to overwrite
1
# pair truncated/shifted tailcorrections
Ow Ow truncated yes
I checked the source code for force field and I see that in BinaryInteractions there is no option for setting tail corrections. However, in output section each pair has printed this setting:
Al - Al Lennard-Jones p₀/kʙ: 254.00000 [K], p₁: 4.00000 [Å]
shift: 0.00000 [K], tailcorrections: false
Does it mean that it can be done in different way or is it not yet implemented?
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