[lammps-users] a quick question about "pair_coeff"

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1

Hi, ALL

I have a question about the parameters in “pair_coeff”.

http://lammps.sandia.gov/doc/pair_coeff.html
The syntax is like this:
pair_coeff I J args

One example is like this:
pair_coeff 1 2 1.0 1.0 2.5

As I can understand, I=1, J=2,
but what are the meanings of “1.0”, “1.0” and “2.5” ?

Thanks.

Guozhen

2

Hi, ALL
I have a question about the parameters in "pair_coeff".

 http://lammps.sandia.gov/doc/pair_coeff.html
 The syntax is like this:
 pair\_coeff I J args

One example is like this:
pair_coeff 1 2 1.0 1.0 2.5
As I can understand, I=1, J=2,
but what are the meanings of "1.0", "1.0" and "2.5" ?

depends on the pair_style setting.

for lj/cut for example it would mean
epsilon, sigma, cutoff

have a closer look at the documentation.

axel.

3

Hi, ALL
I have a question about the parameters in “pair_coeff”.

http://lammps.sandia.gov/doc/pair_coeff.html
The syntax is like this:
pair_coeff I J args
One example is like this:
pair_coeff 1 2 1.0 1.0 2.5
As I can understand, I=1, J=2,
but what are the meanings of “1.0”, “1.0” and “2.5” ?

depends on the pair_style setting.

for lj/cut for example it would mean
epsilon, sigma, cutoff

If it’s lj/cut type, what would be the units of epsilon, sigma and cutoff ?
Thanks.

Guozhen

4

They are listed on the doc page for pair lj/cut.

Steve