Dear all,
I have 22 atom types in a simulation system. Only one is described by airebo potential and the rest are used by lj/cut potential. How can I write the pair_coeff command ? With 21 NULL as follows ?
pair_style hybrid airebo 3.0 lj/cut 5.0
pair_coeff * * airebo CH.airebo C NULL NULL NULL NULL .... NULL (21 NULL)
pair_coeff 1 2* lj/cut 0.0000 3.382
How many arguments (atom types) can be accepted with pair_coeff ?
Thanks for any help,
John
Dear all,
I have 22 atom types in a simulation system. Only one is described by
airebo potential and the rest are used by lj/cut potential. How can I
write the pair_coeff command ? With 21 NULL as follows ?pair_style hybrid airebo 3.0 lj/cut 5.0
pair_coeff * * airebo CH.airebo C NULL NULL NULL NULL .... NULL (21 NULL)
pair_coeff 1 2* lj/cut 0.0000 3.382How many arguments (atom types) can be accepted with pair_coeff ?
about half a billion (never tested it, but that is a
back-of-the-envelope estimate considering LAMMPS internal limits for
reading input files).
axel.