I use atom_style hybrid sphere bond in my input. So i must add diameter and density for all particles to other Atoms section properties ( id, atom type and xyz coordinates) in data file. Also i must set a mass value for each atom type in Masses section.
Now i am confused how Lammps computes value of mass for each type of particles in system from Masses section or from diameter and density in Atoms section in data file or i should use mass command in input fild to set value of mass for each atom type?
Best Regards
Thanks for your help
Samira
Also i must set a mass value for each atom type in Masses section.
You can also do this with a "mass" command in the input script.
From the mass command doc page:
If you define a hybrid atom style which includes one (or more)
sub-styles which require per-type mass and one (or more) sub-styles
which require per-atom mass, then you must define both. However, in
this case the per-type mass will be ignored; only the per-atom mass
will be used by LAMMPS.
Steve