Actions: mbercx/aiida-quantumespresso
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ProjwfcParser
: Fix DOS parsing for spin-polarised case
ci
#514:
Commit 121d1bb
pushed
by
mbercx
ProjwfcParser
: Fix DOS parsing for spin-polarised case
ci
#513:
Commit 55e1253
pushed
by
mbercx
projwfc.x
parser
ci
#512:
Commit bec5f23
pushed
by
mbercx
projwfc.x
parser
ci
#511:
Commit d7d344a
pushed
by
mbercx
projwfc.x
changes
ci
#510:
Commit 521e34b
pushed
by
mbercx
projwfc.x
changes
ci
#509:
Commit 7edefbe
pushed
by
mbercx
PwParser
: Add the XML schema for Quantum ESPRESSO v7.4
ci
#506:
Commit ed925b1
pushed
by
mbercx
PwParser
: Add the XML schema for Quantum ESPRESSO v7.4
ci
#505:
Commit 4f25147
pushed
by
mbercx
PwBaseWorkChain
: Always do full restart for ERROR_OUT_OF_WALLTIME
ci
#504:
Commit cfdfc51
pushed
by
mbercx
pytest
regression file to more compact test files
ci
#500:
Commit 2987c8b
pushed
by
mbercx
pytest
regression file to more compact test files
ci
#499:
Commit 7bc1863
pushed
by
mbercx
num_of_atomic_wfc
parsing + add test
ci
#495:
Commit ec974d1
pushed
by
mbercx
num_of_atomic_wfc
parsing + add test
ci
#494:
Commit 7c4fbb1
pushed
by
mbercx
pw.x
ci
#493:
Commit e831ac9
pushed
by
mbercx
get_xspectra_structures
: Refactor and Improve Code (#1026)
ci
#490:
Commit 210c40b
pushed
by
mbercx