jyang2009

would be nice if pyiron can parse a failed lammps job

5

Dear all, I recently realized that while pyiron can parse a failed vasp job to get the atomic positions, energies, etc, it cannot do so for a failed lammps job....

get_nelect() gives wrong number of electrons

1

**Summary** job.get_nelect() gives wrong number of electrons when not using default POTCAR files Dear all, I recently found out that the get_nelect() method for vasp jobs does not read from...

bug in project packing

1

Dear all, I've recently found a bug in the pack function of the pyiron project. What I wanted to do was to select a few jobs from an existing project,...