[lammps-users] msi2lmp test needed?

LAMMPS LAMMPS Mailing List Mirror
1

Hi

I recently discovered msi2lmp tool in lammps tools section. I was disappointed as well as pleased. I was disappointed since i had already written my code for polymeric system of my interest to do the same. However, i was pleased to see that now this can be used for any general polymeric system of my interest in future. Before i start using it, i just wanted to confirm from lammps developers if you think it is needed to test it for any possible errors? I am asking this since it is not a part of lammps official release and written by somebody external. I can potentially do such check and i already have my code for a specific system, but it is still a 2-3 days of work to work on the fine details. So if you could let me know above, that will be great.

Thanks
Chetan

2

It's an old piece of code, and I don't know how many people
use it. So I have no idea whether it is bug free. Only
that some people have used it successfully in the past.
If you or someone wants to upgrade/maintain it, that
would be great. Or contribute your new tool if you think
it's better.

Steve

3

Thanks, Steve.

My new tool is very specific to my membrane system and has limited user-friendliness. However, i can use it to validate this msi2lmp tool and see if there are any errors. If i end up doing that, i will get back to you with my feedback.

Thanks
Chetan