AiiDA LAMMPS v1.0.0 release

Dear all

I just wanted to announce here that we have just released the version 1.0.0 of the aiida-lammps plugin.

This is a plugin to handle molecular dynamics simulations from the LAMMPS simulation package. It includes the capability of performing single stage calculations by constructing an input file from a set of input parameters, as well as performing calculations from a given LAMMPS input script.

Dedicated workflows for molecular dynamics, and structural optimization are also present.

Please feel free to check it out and point out any improvements, bugs, etc in the issues.

Thank you and happy computing!


I moved this announcement from “General Usage” to “Community” Category which was created for this purpose, see About the Community category. The post will notify all users by emails.

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