Ecosyste.ms: Issues

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GitHub / nomad-coe/workflow-parsers issues and pull requests

#46 - Change to dynamic versioning

Pull Request - State: open - Opened by ladinesa 2 months ago

#45 - Use pypi pkgs

Pull Request - State: closed - Opened by ladinesa 3 months ago

#44 - Fix file parser handling

Pull Request - State: closed - Opened by ladinesa 3 months ago

#43 - Remove menv

Pull Request - State: closed - Opened by ladinesa 3 months ago - 1 comment

#42 - Entry point

Pull Request - State: closed - Opened by ladinesa 3 months ago - 1 comment

#41 - Fix quantity types

Pull Request - State: closed - Opened by ladinesa 7 months ago - 1 comment

#40 - Inconsistent data type

Issue - State: open - Opened by TLCFEM 8 months ago - 1 comment

#39 - Fix nomad dependency

Pull Request - State: closed - Opened by ladinesa 9 months ago - 1 comment

#38 - Make AFLOW ID findable

Issue - State: open - Opened by ndaelman-hu 9 months ago
Labels: enhancement

#37 - Fix non-canonical hexagonal treatment in Phonopy

Pull Request - State: closed - Opened by ndaelman-hu 9 months ago - 6 comments
Labels: bug

#36 - Adding a workflow to address the NEB calculation.

Issue - State: open - Opened by u-gajera 9 months ago
Labels: enhancement

#35 - Remove `.pylintrc`

Pull Request - State: closed - Opened by ndaelman-hu 9 months ago
Labels: format

#34 - Apply ruff

Pull Request - State: closed - Opened by ndaelman-hu 9 months ago - 7 comments
Labels: format

#33 - Rename `CoreHole` to `CoreHoleSpectra`

Pull Request - State: closed - Opened by ndaelman-hu 11 months ago
Labels: enhancement

#32 - Remove run schema from nomad

Pull Request - State: closed - Opened by ladinesa 12 months ago

#31 - Remove references to workflow schema in nomad

Pull Request - State: closed - Opened by ladinesa 12 months ago

#30 - Fix nomad dependency

Pull Request - State: closed - Opened by ladinesa almost 1 year ago

#29 - Add nomad to dependencies

Pull Request - State: closed - Opened by ladinesa almost 1 year ago

#28 - New dos schema for LOBSTER parser

Pull Request - State: closed - Opened by JosePizarro3 about 1 year ago

#27 - LOBTER parser needs update for DOS metainfo changes

Issue - State: closed - Opened by ondracka about 1 year ago

#26 - QuantumEspresso phonon calculations wrongly characterized

Issue - State: open - Opened by ndaelman-hu over 1 year ago - 1 comment
Labels: bug

#25 - Added source code url to plugin metadata.

Pull Request - State: closed - Opened by markus1978 over 1 year ago

#24 - Removed the MOFStructures parser.

Pull Request - State: closed - Opened by lauri-codes over 1 year ago

#23 - Added units for spectra.intensities

Pull Request - State: closed - Opened by JosePizarro3 over 1 year ago

#22 - Fix spectra in XSPECTRA

Pull Request - State: closed - Opened by JosePizarro3 over 1 year ago - 2 comments

#22 - Fix spectra in XSPECTRA

Pull Request - State: closed - Opened by JosePizarro3 over 1 year ago - 2 comments

#21 - JOSS Review: `MOFStructures` link is not correct

Issue - State: closed - Opened by Andrew-S-Rosen over 1 year ago - 2 comments

#20 - Update requirements

Pull Request - State: closed - Opened by ladinesa over 1 year ago

#19 - Fix GitHub workflow

Pull Request - State: closed - Opened by ladinesa over 1 year ago

#18 - Update basis set

Pull Request - State: closed - Opened by ndaelman-hu over 1 year ago

#17 - fix config import

Pull Request - State: closed - Opened by ladinesa over 1 year ago

#16 - 1008 plugin mechanism

Pull Request - State: closed - Opened by ladinesa over 1 year ago

#15 - Remove old workflow section

Pull Request - State: closed - Opened by ladinesa over 1 year ago

#14 - Changes: update config

Pull Request - State: closed - Opened by fekad over 1 year ago

#13 - lobsterparser: fix incorrect warning logic

Pull Request - State: open - Opened by ondracka over 1 year ago - 6 comments

#12 - Linking LOBSTER calculations to the underlying DFT calcualtions

Issue - State: open - Opened by ondracka over 1 year ago - 11 comments

#11 - Fix parsing for LOBSTER runs on top of Quantum Espresso

Pull Request - State: closed - Opened by ondracka over 1 year ago - 6 comments

#10 - Fixed alat units

Pull Request - State: closed - Opened by JosePizarro3 almost 2 years ago

#9 - Fix phonopy workflow2

Pull Request - State: closed - Opened by ladinesa almost 2 years ago

#8 - Fix workflow generation in phonopy

Issue - State: open - Opened by ladinesa almost 2 years ago

#7 - Initial xspectra parser

Pull Request - State: closed - Opened by ladinesa almost 2 years ago - 6 comments

#6 - Workflow2

Pull Request - State: closed - Opened by ladinesa almost 2 years ago

#5 - LOBSTER parser fails

Issue - State: open - Opened by naik-aakash about 2 years ago - 7 comments

#4 - Updating python setup process

Pull Request - State: closed - Opened by fekad about 2 years ago

#3 - EPW parser fixes

Pull Request - State: closed - Opened by ondracka about 2 years ago - 1 comment

#2 - Added status field, fixed codeNames.

Pull Request - State: closed - Opened by lauri-codes about 2 years ago

#1 - Qe parsers minor fixes

Pull Request - State: closed - Opened by ondracka over 2 years ago - 4 comments