implementing a new model type in KIM

Hi Josh,

Thanks for your email. I'm cc'ing thin on the openkim mailing list so that others with similar questions can find the answers. See below.

To Whom It May Concern,

I have a potential, which I desire to implement in KIM, with which I plan
to use in LAMMPS.


I have downloaded and installed KIM v1.6.3 and viewed the templates (for
linking KIM to LAMMPS), but I am not able to use the EAM pair functional
template because my potential is of the MEAM variety...however, in my MEAM
model, the parameterized exponentials (for the symmetric and angular
densities) are essentially replaced with numerical functions that are

So, I wanted to ask if there might be any F03 templates available that
conforms to the MEAM formalism?

There are not any MEAM template files available at this time.

I ask this because it is my intention to
replace the parameterized exponentials with my Lagrangian interpolations
for the symmetric and angular densities (in addition to other modifications
to the background electron density). I did look on the website
for any F03 files for the MEAM potentials, but there were none available
for download that I could find.

The only MEAM Models currently available on are associated with the MEAM_2NN__MD_111291751625_001 driver.


This driver is written in Fortran. However, this driver is not equivalent to the MEAM code that ships with LAMMPS.

I ask this because I would like to avoid having to write a F03 KIM model
file from scratch to use in LAMMPS, if possible.

We would be very interested in receiving a new MEAM driver implementation that reproduces the version available in LAMMPS. I'm happy to provide support to anyone who is interested in creating and contributing such a driver.

Please let me know if you have further questions.


Ryan Elliott