Inquiry Regarding "Molecular Dynamics Based Kinetic Monte Carlo Simulation for Accelerated Diffusion" Article

Dear fellow developers,

I hope this email finds you well. I recently came across an article titled “Molecular dynamics based kinetic Monte Carlo simulation for accelerated diffusion,” which was published in 2023. The article describes the utilization of an LAMMPS package to conduct an md/kMC calculation through a neighbor atoms list. You can find the article at the following link: article link.

The authors of the article claim that the code supporting their work will be integrated into the main LAMMPS distribution. However, I have been unable to locate any information regarding this integration on the official LAMMPS website.

I would greatly appreciate it if any of the developers could assist me in confirming whether the code has already been incorporated into the main LAMMPS distribution. Alternatively, if it is yet to be included, I would like to know when it is expected to become available for installation.

Furthermore, I attempted to contact the authors directly via email, but unfortunately, they have not responded to my inquiry. Therefore, I am reaching out to the developer community in the hope of obtaining some insights or guidance.

I would like to express my gratitude in advance to anyone who can provide me with any relevant information or clues regarding the availability of the code.

Thank you very much for your time and assistance.

Best regards,

You are likely misinterpreting what the authors of the paper wrote. If somebody writes “make available in LAMMPS” that does not automatically mean, that a feature has been contributed back into the distribution. But rather than there is a way that you can download a modified version of LAMMPS somewhere or download the add-on files with some information about how to integrate them. For example, there are currently over 1500 forks of the LAMMPS repository on GitHub.

Sadly, this is a rather common occurrence and the reasons for it a manifold. The LAMMPS developers are committed to welcome contributions and help as much as they can to integrate changes into the distribution.

Thank you for your reply! :grinning: