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nomad-coe
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workflow-parsers
Apache License 2.0
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Change to dynamic versioning
#46
ladinesa
opened
2 months ago
0
Use pypi pkgs
#45
ladinesa
closed
2 months ago
0
Fix file parser handling
#44
ladinesa
closed
2 months ago
0
Remove menv
#43
ladinesa
closed
3 months ago
1
Entry point
#42
ladinesa
closed
2 months ago
1
Fix quantity types
#41
ladinesa
closed
7 months ago
1
Inconsistent data type
#40
TLCFEM
opened
7 months ago
1
Fix nomad dependency
#39
ladinesa
closed
8 months ago
1
Make AFLOW ID findable
#38
ndaelman-hu
opened
8 months ago
0
Fix non-canonical hexagonal treatment in Phonopy
#37
ndaelman-hu
closed
8 months ago
6
Adding a workflow to address the NEB calculation.
#36
u-gajera
opened
9 months ago
0
Remove `.pylintrc`
#35
ndaelman-hu
closed
9 months ago
0
Apply ruff
#34
ndaelman-hu
closed
9 months ago
7
Rename `CoreHole` to `CoreHoleSpectra`
#33
ndaelman-hu
closed
11 months ago
0
Remove run schema from nomad
#32
ladinesa
closed
9 months ago
0
Remove references to workflow schema in nomad
#31
ladinesa
closed
11 months ago
0
Fix nomad dependency
#30
ladinesa
closed
1 year ago
0
Add nomad to dependencies
#29
ladinesa
closed
1 year ago
0
New dos schema for LOBSTER parser
#28
JosePizarro3
closed
1 year ago
0
LOBTER parser needs update for DOS metainfo changes
#27
ondracka
closed
1 year ago
0
QuantumEspresso phonon calculations wrongly characterized
#26
ndaelman-hu
opened
1 year ago
1
Added source code url to plugin metadata.
#25
markus1978
closed
1 year ago
0
Removed the MOFStructures parser.
#24
lauri-codes
closed
1 year ago
0
Added units for spectra.intensities
#23
JosePizarro3
closed
1 year ago
0
Fix spectra in XSPECTRA
#22
JosePizarro3
closed
1 year ago
2
JOSS Review: `MOFStructures` link is not correct
#21
Andrew-S-Rosen
closed
1 year ago
2
Update requirements
#20
ladinesa
closed
1 year ago
0
Fix GitHub workflow
#19
ladinesa
closed
1 year ago
0
Update basis set
#18
ndaelman-hu
closed
1 year ago
0
fix config import
#17
ladinesa
closed
1 year ago
0
1008 plugin mechanism
#16
ladinesa
closed
1 year ago
0
Remove old workflow section
#15
ladinesa
closed
1 year ago
0
Changes: update config
#14
fekad
closed
1 year ago
0
lobsterparser: fix incorrect warning logic
#13
ondracka
opened
1 year ago
6
Linking LOBSTER calculations to the underlying DFT calcualtions
#12
ondracka
opened
1 year ago
11
Fix parsing for LOBSTER runs on top of Quantum Espresso
#11
ondracka
closed
1 year ago
6
Fixed alat units
#10
JosePizarro3
closed
1 year ago
0
Fix phonopy workflow2
#9
ladinesa
closed
1 year ago
0
Fix workflow generation in phonopy
#8
ladinesa
opened
1 year ago
0
Initial xspectra parser
#7
ladinesa
closed
1 year ago
6
Workflow2
#6
ladinesa
closed
1 year ago
0
LOBSTER parser fails
#5
naik-aakash
opened
2 years ago
7
Updating python setup process
#4
fekad
closed
1 year ago
0
EPW parser fixes
#3
ondracka
closed
2 years ago
1
Added status field, fixed codeNames.
#2
lauri-codes
closed
2 years ago
0
Qe parsers minor fixes
#1
ondracka
closed
2 years ago
4