Dear lammpers’
I have used the hybrid pair_style in my code and the program can run normally,but the result shows that the atoms are exploring， which is looks like there is no interacting force between the Fe atom(atom1) and C atom(atom2 ).the picture below will give you a insight into this phenomenon.
Dear lammpers’
I have used the hybrid pair_style in my code and the program can run normally,but the result shows that the atoms are exploring， which is looks like there is no interacting force between the Fe atom(atom1) and C atom(atom2 ).the picture below will give you a insight into this phenomenon.
Dear lammpers’
I have used the hybrid pair_style in my code and the program can run normally,but the result shows that the atoms are exploring， which is looks like there is no interacting force between the Fe atom(atom1) and C atom(atom2 ).the picture below will give you a insight into this phenomenon.
Your first two pair_coeff lines cannot work. The second will wipe out the first. Manybody potentials can only be selected on a per atom type basis and then cover all permutations of pairs. They are nor pairwise additive and thus cannot be assigned to arbitrary pairs.
how should I write the pair_coeff correctly?when I try many kind of the pair_coeff as follow ,it always wrong. the pair_coeff i have tried as follow:
pair_style hybrid eam/fs tersoff lj/cut 10.0 # lcbop
how should I write the pair_coeff correctly?when I try many kind of the
pair_coeff as follow ,it always wrong. the pair_coeff i have tried as
follow:
> pair_style hybrid eam/fs tersoff lj/cut 10.0 # lcbop
> pair_coeff * * eam/fs Fe-C.eam.fs Fe C NULL NULL #Fe-C
> #pair_coeff * * lcbop C.lcbop NULL C NULL NULL #C-C
> #pair_coeff 1 2 lj/cut 0.00759200 3.5 9.7625 #Fe-C
> pair_coeff * * tersoff BNC.tersoff NULL NULL B N #B-N
> #pair_coeff 1 1 lj/cut 0.105 3.85 10 #Fe-Fe
> pair_coeff 2 4 lj/cut 0.004068 3.367 #N-C
> pair_coeff 2 3 lj/cut 0.003311 3.411 #B-C
> pair_coeff 1 3 lj/cut 0.00284 3.4 #Fe-B
> pair_coeff 1 4 lj/cut 0.00759200 3.5 9.7625 #Fe-N
EXPLORSION
What does this mean? The above commands should not generate errors. If it
does not work as you expected, maybe your lj/cut parameters are not
appropriate.
pair_style hybrid eam/fs tersoff lj/cut 10.0 lcbop
> pair_coeff * * eam/fs Fe-C.eam.fs Fe C NULL NULL #Fe-C
> pair_coeff * * lcbop C.lcbop NULL C NULL NULL #C-C
> #pair_coeff 1 2 lj/cut 0.00759200 3.5 9.7625 #Fe-C
> pair_coeff 3 4 tersoff BNC.tersoff NULL NULL B N #B-N
