Actions: SMTG-Bham/doped
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493 workflow runs
493 workflow runs
develop
Tests
#493:
Commit 3935e4f
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kavanase
element_changes
for Defect
for fast formation energy / c…
Tests
#492:
Commit eaf96ce
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by
kavanase
SymmOp
handling (pymatgen
PR submitted; https://github.c…
Tests
#490:
Commit 5d16471
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kavanase
_smart_round
function and some docstrings updates
Tests
#489:
Commit 0292e34
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by
kavanase
style_file
option, return figures, cleanup etc
Tests
#485:
Commit 534d738
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kavanase
get_doped_chempots_from_entries
convenience function to `doped.…
Tests
#478:
Commit b3c674d
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kavanase
chempot
/el_refs
input and handling as in `…
Tests
#477:
Commit 42e5af5
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kavanase
bulk_dos
to be set in DefectThermodynamics
init, or as prop…
Tests
#476:
Commit ddea60f
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by
kavanase
Doped/PyScFermi
backends to FermiSolver
, docstring fleshing…
Tests
#474:
Commit 62f65e5
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by
kavanase
mp-api
to requirements for tests
Tests
#470:
Commit 1a1e2db
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kavanase