Dear All:
How can I caculate the bond length distribution and bond angle distribution in lammps?I want to plot a figure like this.Could anyone tell me how I can use lammps command to achieve this?Best regards.
What kind of potential are you using? Do you have bond_style and angle_style? If yes, then you can use compute property/local. If not, then you are best off doing this in post-process.
Ray
If the bonds/angles are defined as permanant in
the data file (associated with a bond or angle style),
then the compute bond/local and angle/local commands
can compute the length/distances on the fly. The
output of those computes can be input to fix ave/histo
to produce a histogram tally to a file, which you can plot.
Steve