pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Fix vasp potentials for GenericMasters #1395

Closed jan-janssen closed 3 months ago

jan-janssen commented 3 months ago

@raynol-dsouza Can you check if this fixes your issue?

coveralls commented 3 months ago

Pull Request Test Coverage Report for Build 8758708927

Details


Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron_atomistics/vasp/potential.py 4 5 80.0%
pyiron_atomistics/vasp/base.py 8 60 13.33%
<!-- Total: 13 66 19.7% -->
Files with Coverage Reduction New Missed Lines %
pyiron_atomistics/sphinx/potential.py 1 66.67%
pyiron_atomistics/atomistics/structure/analyse.py 1 97.67%
pyiron_atomistics/atomistics/generic/object_type.py 1 58.62%
pyiron_atomistics/atomistics/job/interactivewrapper.py 1 72.73%
pyiron_atomistics/atomistics/structure/phonopy.py 1 85.71%
pyiron_atomistics/sphinx/util.py 2 90.38%
pyiron_atomistics/vasp/parser/report.py 2 52.0%
pyiron_atomistics/lammps/units.py 2 97.18%
pyiron_atomistics/atomistics/structure/atom.py 2 96.3%
pyiron_atomistics/testing/randomatomistic.py 2 93.3%
<!-- Total: 3260 -->
Totals Coverage Status
Change from base Build 8737261842: -21.9%
Covered Lines: 10837
Relevant Lines: 15187

💛 - Coveralls
raynol-dsouza commented 3 months ago

@jan-janssen Thanks! It works correctly now for VASP.