NEB Restart


Both options A and B both offer the functionality I and others would be able to utilize and make the LAMMPS implementation of NEB more robust. When would these two options be available for use?

The third option seems less a priority to me, but it is also a useful option which would speed up lengthy NEB simulations concerning the motion of large systems.

Again, I greatly appreciate your quick response and willingness to help include this additional functionality.

Best regards,


The first two shouldn’t be hard - I’ll take a look next week.