I am just learning to use Reaxff to study molecular reaction kinetics. I successfully installed LAMMPS in LINUX with the installation guide in the LAMMPS manual. But, it seems this manual does not include the Reaxff installation guide. Can you please list the commands used to install Reaxff in LAMMPS? I think it will be very helpful for many beginners like me. Thank you.
2.1. Download an executable for Linux — LAMMPS documentation
Reaxff support is either included in the precompiled binary or you have compile a custom binary from the source code. You cannot “install” a package into a compiled binary.
Thank you for your suggestion. I used following commands to install lammps including REAXFF package.
Is it right? I tested lammps using the toturial case in lammps’ website. This case ran well, which implies lammps is well installed. Is there a test file of reaxff simulation to test the reaxff package?
How to build LAMMPS from source is documented in great detail in the LAMMPS manual. Same goes for how to run it. You may need more than just the REAXFF package.
Whenever you are using a feature that is missing in your executable, there should be an error message indicating which package needs to be installed in addition. Then you can install/enable that package, recompile LAMMPS and continue with the new executable.
There also is an entire chapter in the manual describing the individual packages.