there is no force when i used the hybrid pair_style

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.

![1(SR{(UQFT(FJMZUY1YJGG.jpg|908x425

my hybrid pair_style is list 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

the attachment is my lammps code which will show the detal of the program.

Best regards

Yao

College of Mechanical Engineering, Donghua University

Room 3034, academy building 4, 2999 North Renmin Road, Songjiang District

Shanghai, 201620, China

Tel: 86-159-0160-8286

Email: [email protected]…8…

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.

![1(SR{(UQFT(FJMZUY1YJGG.jpg|908x425

my hybrid pair_style is list 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

the attachment is my lammps code which will show the detal of the program.

Best regards

Yao

College of Mechanical Engineering, Donghua University

Room 3034, academy building 4, 2999 North Renmin Road, Songjiang District

Shanghai, 201620, China

Tel: 86-159-0160-8286

Email: [email protected]…8…

lammps code.zip (1.21 MB)

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

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

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
#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

ERROR:incorrect pair_coeff(tersoff)

can you help me figure out the setting of pair_style ,this problem have harassed me for a month

College of Mechanical Engineering, Donghua University

Room 3034, academy building 4, 2999 North Renmin Road, Songjiang District

Shanghai, 201620, China

Tel: 86-159-0160-8286

Email: [email protected]…8…

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

> #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

ERROR:incorrect pair_coeff(tersoff)

tersoff requires "* *"

Ray