since there are quite a few people here interested in using LAMMPS with Plumed, I thought it might be a good idea to point out that - thanks to the efforts of Gareth Tribello and Pablo Piaggi - we have now native support for Plumed integrated into LAMMPS. This means, no more error prone patching and patches that become incompatible. Adding support for Plumed to LAMMPS can now be as simple as:
make lib-plumed args="-b"
cmake …/cmake -DPKG_USER-PLUMED=yes
using cmake will be particularly convenient, if you have plumed already installed, while the former option will assume, that you don’t have it installed and transparently download and compile plumed. Both variants can be implemented with either build system. Details are in the manual.
If you run across issues, please contact us here or file an Issue on GitHub at: https://github.com/lammps/lammps/issues
Have a pleasant weekend,