Hello to everyone,
I think my questions are very basic since I’m unable to operate the software package. I’m new to this software and I’m having problems building tests/models.
My initial goal is to construct a special structure and test some configurations of it.
Can I be directed to a beginners manual/examples/tutorials?
I’v been having some problems in understanding the path of programming this package to work as I please.
I have been trying to understand the software for over a month now.
I’m with the appropriate background in physics and engineering but I’m not native to the Linux system or with a very rich knowledge of coding or software engineering.
Thanks for the help.
Thanks for your message and for using KIM.
For most users it will be best to use KIM through a KIM Compliant Simulator. These include the Atomic Simulation Environment (ASE), LAMMPS, DL_POLY, etc.
I would suggest that you look at ASE (https://wiki.fysik.dtu.dk/ase/) to get started. At this particular instant, ASE does not have KIM support natively built in. However, with the recent release of kim-api-v2.0.0-beta.2, we will be pushing out a number of supporting packages to provide such native support. So, I expect that ASE will soon have full kim support built in.
In the meantime, while we are getting this done, you can work to become familiar with using ASE to perform the simulations you are interested in. You can use one of the built in models while you do this.
Alternatively, LAMMPS (or DL_POLY, etc) is also a good option. Regardless, you'll want to get familiar with an established Simulator and then when you are ready, figure out how to get KIM working with that Simulator. (We're also working hard to make it much easier to get the KIM API and OpenKIM.org models installed on your Linux/MacOS machine using native binary package managers. Keep an eye out for announcements along these lines in the coming months.)