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bond lengths of A-A types and B-B types


I want to compute bond lengths of A-A bonds from lammps data file(lammps.straj-x y z). When I use the module of compute bond lengths in add modification to obtain the lengths of bonds, but there is no reaction. Could everyone give me some suggestion about how to get the lengths of A-A bond.


It seems you are still using and outdated version OVITO (v2.9.0 or 3.0.0-dev). The Compute Bond Lengths function was only part of OVITO in the past.

Before I get to OVITO 3, let me tell you that the Compute Bond Lengths modifier stores the computed lengths as new properties of the individual bonds. These values are not immediately visible in any way, and you need to apply some additional function to visualise the information. The Color Coding modifier, for example, which uses a color map to turn each bond's length value into a corresponding bond color. Another useful function is the Histogram modifier, which allows you to compute the statistical distribution of bond length values in your system.

In the current version of OVITO (3.1.x), you need to use the Compute Property modifier instead of the Compute Bond Lengths modifier to let OVITO compute the lengths of bonds and store the output values as a new bond property named "Length", as shown in the attached screenshot.

The upcoming new OVITO Pro version 3.2 will provide a specific function for this, the Bond Analysis modifier. This function lets you compute the length distributions separately for different combinations of atom types, e.g. A-A or B-B, and also the bond angle distribution. Let me know if you are interested in trying out a preview build of that new OVITO Pro version.


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