Hello lammps-user,
I’m looking for a sample ice nucleation script; I have found some articles on this topic but there is no explicit script as far as public source, even in the lammps mailing archive. I wonder if somebody can share with me the input, I would greatly appreciate that.
Thanks,
Anh Tran
PhD Student
Multi-scale Systems Engineering Research Group
Georgia Institute of Technology
Hello lammps-user,
I'm looking for a sample ice nucleation script; I have found some articles
on this topic but there is no explicit script as far as public source, even
in the lammps mailing archive. I wonder if somebody can share with me the
input, I would greatly appreciate that.
it is rather rare to find an "example" that can be used as a template
to start a specific research project. you have much better chances to
get help when you describe what you have tried so far and where you
are struggling. if you are at the very beginning of your project, then
it is rarely a good idea to jump right in, but rather you should first
get familiar with the tools and settings on a much simpler system.
axel.
Keep in mind that there are a ton of water models out there. Moltemplate has an ice example and a simple google search can render links like this one:
https://sites.google.com/a/ncsu.edu/cjobrien/tutorials-and-guides/working-with-water-in-lammps
OK, they are not specifically nucleation examples but you got to earn your bread…
Carlos