Vir Karan

icon indicating a website link https://vir-k01.github.io/

icon location Graduate Student, Persson Group @ UC Berkeley/Lawrence Berkeley National Lab

Results 2 issues of Vir Karan

[WIP] Better input set generator and sets for io.lammps

3 comment

## Summary This PR is part of an effort to include workflows for running LAMMPS via atomate2. A concurrent PR will be opened in atomate2 that has the flows, while...

[WIP] LAMMPS Flows

4 comment

## Summary This is an effort that picks up from #173 to incorporate workflows to run LAMMPS in atomate2. Quite a bit of the initial code was taken from the...