Dear Friends
I want to use POL3 model for water (in the attached paper), but I don’t find any pair_style for it in LAMMPA manual.
Should I use the other software or can I use it in LAMMPS?
Would you please help me
paper.pdf (887 KB)
Dear Friends
I want to use POL3 model for water (in the attached paper), but I don’t find any pair_style for it in LAMMPA manual.
Should I use the other software or can I use it in LAMMPS?
Would you please help me
paper.pdf (887 KB)
Dear Friends
I want to use POL3 model for water (in the attached paper), but I don't find
any pair_style for it in LAMMPA manual.
there is none.
Should I use the other software or can I use it in LAMMPS?
you'd have to write a pair style for it and figure out how to
implement the polarizability. there is the charge equilibration fix
that may serve as inspiration.
axel.