Dear all
I am a new user interested in simulating particles embedded with point-dipoles, so I'm having a look at the dipole example (lammps-19Jun11/examples/dipole).
I believe there is a small mistake in the input script provided. In particular, running the example simulation yields the following screen output:
LAMMPS (19 Jun 2011)
Lattice spacing in x,y,z = 1.69031 1.69031 1.69031
Created orthogonal box = (0 0 -0.845154) to (16.9031 16.9031 0.845154)
2 by 2 by 1 processor grid
Created 200 atoms
Setting atom values ...
200 settings made for mass
Setting atom values ...
200 settings made for dipole/random
ERROR: All masses are not set
I found this error described on the website as:
/All masses are not set/
For atom styles that define masses for each atom type, all masses
must be set in the data file or by the mass command before running a
simulation. They must also be set before using the velocity command.
So I added the following line in the input script:
mass 1 1.0
and with this the simulation seemed to run ok.
Hope this feedback is useful.
Best,
Mario