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33 Open 151 Closed
33 Open 151 Closed
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Issues list

Use progress bar for MD enhancement New/improved feature or request good first issue Good for newcomers
#405 opened Feb 4, 2025 by ElliottKasoar
Use progress bar for descriptors enhancement New/improved feature or request good first issue Good for newcomers
#404 opened Feb 4, 2025 by ElliottKasoar
Add isotropic NPT MD enhancement New/improved feature or request good first issue Good for newcomers
#398 opened Feb 3, 2025 by ElliottKasoar
Add user installation/upgrade instructions documentation Improvements or additions to documentation
#397 opened Jan 31, 2025 by ElliottKasoar
@ElliottKasoar
Test tutorials documentation Improvements or additions to documentation priority Urgent attention required
#386 opened Jan 17, 2025 by ElliottKasoar Requirements for paper release
1
@ElliottKasoar
2
Add Nudge Elastic Band enhancement New/improved feature or request
#375 opened Jan 3, 2025 by ElliottKasoar Requirements for paper release
1
@ElliottKasoar
Document phonopy cmake error troubleshooting documentation Improvements or additions to documentation enhancement New/improved feature or request
#373 opened Jan 3, 2025 by ElliottKasoar Requirements for paper release
1
@ElliottKasoar
Improve defaults enhancement New/improved feature or request
#370 opened Dec 12, 2024 by ElliottKasoar
@ElliottKasoar
Use slice.indices() enhancement New/improved feature or request
#364 opened Dec 4, 2024 by oerc0122
add support for fairchem enhancement New/improved feature or request
#363 opened Dec 3, 2024 by alinelena Requirements for paper release
@alinelena
Add orb support enhancement New/improved feature or request
#361 opened Nov 29, 2024 by ElliottKasoar Requirements for paper release
1
@alinelena
Add upload option enhancement New/improved feature or request
#359 opened Nov 28, 2024 by ElliottKasoar Requirements for paper release
@ElliottKasoar
2
phonon bands compressed make it option enhancement New/improved feature or request good first issue Good for newcomers
#356 opened Nov 22, 2024 by alinelena Requirements for paper release
Consider context manager for CLI summary enhancement New/improved feature or request
#345 opened Nov 4, 2024 by ElliottKasoar
Update torch/dgl enhancement New/improved feature or request
#328 opened Oct 9, 2024 by ElliottKasoar
4
Use progress bar for additional calculations enhancement New/improved feature or request good first issue Good for newcomers
#324 opened Oct 8, 2024 by ElliottKasoar
3
Update chgnet to 0.4.0 enhancement New/improved feature or request
#312 opened Sep 30, 2024 by ElliottKasoar
@ElliottKasoar
1
geomopt filter_func argument does not support ase.constraints as advertised bug Something isn't working documentation Improvements or additions to documentation good first issue Good for newcomers priority Urgent attention required
#311 opened Sep 30, 2024 by ajjackson Requirements for paper release
1
5
Expand supported models for training enhancement New/improved feature or request priority Urgent attention required
#308 opened Sep 6, 2024 by ElliottKasoar Requirements for paper release
Improve efficiency of MD restart from stats file enhancement New/improved feature or request good first issue Good for newcomers
#298 opened Sep 2, 2024 by ElliottKasoar
Support the online correlator in the cli enhancement New/improved feature or request
#263 opened Aug 9, 2024 by harveydevereux
1
@harveydevereux
3
support calculator lists enhancement New/improved feature or request
#240 opened Aug 2, 2024 by alinelena Requirements for paper release
1
@ElliottKasoar
1
Add support for nequip calculations enhancement New/improved feature or request priority Urgent attention required
#223 opened Jul 18, 2024 by alinelena Requirements for paper release
1
@alinelena
3
Add option for pressure ramp in MD enhancement New/improved feature or request good first issue Good for newcomers
#141 opened May 8, 2024 by ElliottKasoar
md_summary prints null instead of default values. enhancement New/improved feature or request
#128 opened May 3, 2024 by alinelena Requirements for paper release
2
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