Hi,
I got stuck some where in defining the bond coefficient in Input script
or in read_data file. I have a system where in the initial configuration
bond lengths are not equal. But all of them belong from a single bond
bond type. I am using bond style harmonic. So, defining a unique 'rest
length' (R0) will not suffice my purpose. How is it possible to
incorporate different equilibrium bond length for a particular bond
type?
Will be waiting for your reply.
best,
If those bonds have a different equilibrium bond length, then they belong by definition to different bond types and have to be defined as such.
Axel.
If those bonds have a different equilibrium bond length, then they belong
by definition to different bond types and have to be defined as such.
Okay. But they are made up off the same element so that their stiffness is
same. So, according to your suggestion in my input script their will be a
particular section titled 'Bond Coeffs' where the types and equilibrium
lengths have to be specified for N bond id's and types, with the same 'K'
value. Right ? Thanks Axel.
best,
Saikat
Bond types are assigned to bonds in the Bonds section and bond type parameters in the Bond Coeffs section or with the bond_coeffs command in the input file.
Read the documentation and look at the examples.
Axel
yes, same K's, different R0s.
Steve