Dear all:
Is there any way to use morse + pppm long range electrostatics combination? Has anyone created a morse/coul/long potential?
Thanks,
Talmesha
Dear all:
dear talmesha,
Is there any way to use morse + pppm long range electrostatics
combination? Has anyone created a morse/coul/long potential?
you can use pair style hybrid/overlay and combine
the normal morse with coul/long.
cheers,
axel.
The Morse potential doesn't define or use charges on atoms,
so it computes no short-range Coulombics. So what does
it mean to use it with a long-range Coulombic solver?
If you want Morse + short-range=Coul + long-range-Coul
then use pair_style hybrid/overlay to define both morse
and coul/long for short-range interactions.
Steve