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1

hi,

I have written a code that when I run it gets an error

could you please help me ?

thanks

code:

mass 1 26.981
mass 2 15.9994
mass 3 58.69
mass 4 58.69
mass 5 58.69
pair_style hybrid lj/cut/coul/cut 25 eam buck/coul/long 25
pair_coeff 1 1 buck/coul/long 0.0 1.0 0.0
pair_coeff 2 2 buck/coul/long 22764.3 0.149 27.88
pair_coeff 1 2 buck/coul/long 1012.6 0.3118 0.0
pair_coeff 345 345 eam Ni_u3.eam
pair_coeff 1 345 lj/cut/coul/cut 0.5067 2.581
pair_coeff 2 345 lj/cut/coul/cut 0.3157 2.865

error:
All pair coeffs are not set

2

hi,
I have written a code that when I run it gets an error
could you please help me ?

the help you need is in: http://lammps.sandia.gov/doc/pair_coeff.html

thanks

code:

mass 1 26.981
mass 2 15.9994
mass 3 58.69
mass 4 58.69
mass 5 58.69
pair_style hybrid lj/cut/coul/cut 25 eam buck/coul/long 25
pair_coeff 1 1 buck/coul/long 0.0 1.0 0.0
pair_coeff 2 2 buck/coul/long 22764.3 0.149 27.88
pair_coeff 1 2 buck/coul/long 1012.6 0.3118 0.0
pair_coeff 3*4*5 3*4*5 eam Ni_u3.eam
pair_coeff 1 3*4*5 lj/cut/coul/cut 0.5067 2.581
pair_coeff 2 3*4*5 lj/cut/coul/cut 0.3157 2.865

where in the documentation does it say that "3*4*5" is a supported syntax?

axel.