Skip to content

Conversation

@bernstei
Copy link
Collaborator

restart LAMMPS if a trajectory (gmc or cell) lost atoms, otherwise arrays received from LAMMPS won't be of correct size. Can probably be done without creating entirely new lammps object, but for now just do it the simple way.

@bernstei bernstei merged commit 40d3851 into main May 5, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants