Closed jan-janssen closed 7 months ago
Changes Missing Coverage | Covered Lines | Changed/Added Lines | % | ||
---|---|---|---|---|---|
pyiron_atomistics/atomistics/structure/periodic_table.py | 17 | 21 | 80.95% | ||
<!-- | Total: | 133 | 137 | 97.08% | --> |
Files with Coverage Reduction | New Missed Lines | % | ||
---|---|---|---|---|
pyiron_atomistics/atomistics/structure/periodic_table.py | 17 | 87.0% | ||
<!-- | Total: | 17 | --> |
Totals | |
---|---|
Change from base Build 8295744902: | -0.1% |
Covered Lines: | 14210 |
Relevant Lines: | 15270 |
This pull request includes the changes form https://github.com/pyiron/pyiron_atomistics/pull/1355 so it is recommended to merge https://github.com/pyiron/pyiron_atomistics/pull/1355 first.
By implementing a
to_dict()
andfrom_dict()
function for the input of the LAMMPS and VASP jobs, it is now possible to transfer these jobs without the need to serialise to HDF5 before.Transfer job object as dictionary:
This example also requires the changes in https://github.com/pyiron/pyiron_base/pull/1377 and https://github.com/pyiron/pyiron_base/pull/1380 . The same functionality can in principle also be used to copy jobs, still this would require all job types to implement this new functionality.