jyang2009

Dear all, I'm trying to do a elastic tensor calculation with lammps and was reading this issue. My question is: is it general that one needs to perform symmetrization for...

Dear Niklas, Thanks a lot for your insights. This is very helpful. The lammps script indeed gives results that violate the symmetry constraints. Specifically for the hcp structure I got...

No. Here is the error message:

Hi Sam, this specific job is a failed md run, which ran for hundreds of steps. So I’m pretty sure there are some data to parse in the dump file....

> Did you check the log file? It's possible that there's no data at all in the file, i.e. it may have exploded in the first step. Hi Sam, I'm...

Hi Sarath @srmnitc , I've found a bug in the pack function. Please see the issue here: [https://github.com/pyiron/pyiron_base/issues/1402](https://github.com/pyiron/pyiron_base/issues/1402) Best, Jing

Hi Jan, I've tested this fix but got a new error when using the copy_to function. I copy the error below. Best, Jing

Hi Jan, I just used the code that I used to copy jobs to the new project, which was working previously. `pr_archive = Project("archive")` `job_new = job.copy_to(project=pr_archive)`