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aiidalab
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aiidalab-qe
AiiDAlab App for Quantum ESPRESSO
https://aiidalab-qe.readthedocs.io/
MIT License
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Bump certifi from 2023.5.7 to 2024.7.4 in /docs
#767
dependabot[bot]
opened
11 hours ago
0
Investigate how to speed up the test suite
#766
danielhollas
opened
18 hours ago
0
Bug for Core-Hole SCF Calculations Combined with DFT-D3 Correction
#765
PNOGillespie
opened
21 hours ago
0
Speedup CI and Docker build
#764
danielhollas
opened
2 days ago
1
Implement path for in-app guides
#763
edan-bainglass
opened
3 days ago
1
Dockerfile: Add --no-user to pip install
#762
danielhollas
opened
3 days ago
5
Use uv to install deps during docker build
#761
danielhollas
opened
3 days ago
1
Tests with aiida-core=2.6.1
#760
danielhollas
opened
3 days ago
1
[pre-commit.ci] pre-commit autoupdate
#759
pre-commit-ci[bot]
opened
4 days ago
1
Bump the gha-dependencies group across 1 directory with 3 updates
#758
dependabot[bot]
opened
5 days ago
0
Deleting the diamond.cif file
#757
mikibonacci
closed
4 days ago
2
Case sensitive filenames breaks in case insensitive filesystems.
#756
mikibonacci
closed
4 days ago
1
Feature/post install plugins
#755
mikibonacci
opened
6 days ago
2
Walltime doesnt apply to plugin (vibroscopy)
#754
AndresOrtegaGuerrero
opened
1 week ago
1
Rename `QuantumESPRESSO` to `Quantum ESPRESSO`
#753
superstar54
opened
1 week ago
0
CI: Use uv for installing deps
#752
danielhollas
closed
5 days ago
1
Redesign header with logo, toggled info sections, etc.
#751
edan-bainglass
opened
1 week ago
2
WIP: Test with Python 3.11 image
#750
danielhollas
opened
1 week ago
0
Acknowledgements for projects
#749
mikibonacci
opened
2 weeks ago
0
nsteps widget
#748
AndresOrtegaGuerrero
opened
2 weeks ago
0
Adding an upload button to setup computer and codes
#747
mikibonacci
opened
3 weeks ago
0
App crashes if dos.x code is not on the same computer of pw.x
#746
mikibonacci
opened
1 month ago
0
External plugin (aiidalab qe vibroscopy) cant be install in ARM64
#745
AndresOrtegaGuerrero
closed
3 weeks ago
13
Install plugin with `--user` option for persistence
#744
superstar54
closed
1 month ago
0
Adding the max_wallclock_seconds setting
#743
mikibonacci
closed
1 month ago
7
Plugin list should install external as pip install --user
#742
AndresOrtegaGuerrero
closed
1 month ago
0
Bump requests from 2.31.0 to 2.32.0 in /docs
#741
dependabot[bot]
opened
1 month ago
0
Docker image with home directory tar
#740
superstar54
opened
1 month ago
12
Adding more QE codes into the default stored ones
#739
mikibonacci
opened
1 month ago
1
Automatic parallelization settings
#738
mikibonacci
opened
1 month ago
0
Time estimation to run a given simulation
#737
mikibonacci
opened
1 month ago
1
Time report for each sub WorkChain
#736
mikibonacci
opened
1 month ago
1
Docker image for fast launch
#735
superstar54
opened
1 month ago
0
Handling Molecules
#734
AndresOrtegaGuerrero
opened
1 month ago
3
Fast startup
#733
unkcpz
opened
1 month ago
0
Include Bands projections
#732
AndresOrtegaGuerrero
opened
1 month ago
0
Exclude all other plugins when select the HP plugin
#731
superstar54
opened
1 month ago
0
RWIP: docker workflow refactor GHA
#730
unkcpz
opened
1 month ago
5
Explicitly pinning down the full-stack image version for qe image
#729
unkcpz
closed
1 month ago
1
Bump version v24.04.0 -> v24.10.0a0
#728
superstar54
closed
1 month ago
0
Issue in optimade provider selection
#727
mikibonacci
opened
1 month ago
0
Job List not displaying, Checkbox instance expected a unicode string, not the float nan
#726
AndresOrtegaGuerrero
opened
1 month ago
3
cleaning 2D path logic
#725
AndresOrtegaGuerrero
closed
1 month ago
0
Improve code setup
#724
danielhollas
opened
1 month ago
1
New release fail the docker stack test on arm64, something wrong with pip install pymatgen
#723
unkcpz
opened
1 month ago
5
Bump jinja2 from 3.1.2 to 3.1.4 in /docs
#722
dependabot[bot]
opened
2 months ago
0
Bump version v24.04.0rc3 -> v24.04.0
#721
superstar54
closed
2 months ago
0
fix parameter retrieval in method `_update_process_label`
#720
superstar54
closed
2 months ago
2
crash when select a new structure after confirmed step1
#719
superstar54
closed
2 months ago
0
HubbardStructureData reach by StructureBrowserWidget
#718
AndresOrtegaGuerrero
closed
2 months ago
5
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