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30 Open 125 Closed
30 Open 125 Closed
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Issues list

Add hessian enhancement New/improved feature or request
#321 opened Oct 3, 2024 by ElliottKasoar
@ElliottKasoar
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 priority Urgent attention required
#311 opened Sep 30, 2024 by ajjackson
1
5
refactor phonons enhancement New/improved feature or request
#310 opened Sep 14, 2024 by alinelena
7 tasks
4
Expand supported models for training enhancement New/improved feature or request priority Urgent attention required
#308 opened Sep 6, 2024 by ElliottKasoar
Add plotting for EoS enhancement New/improved feature or request
#301 opened Sep 3, 2024 by ElliottKasoar
Improve efficiency of MD restart from stats file enhancement New/improved feature or request
#298 opened Sep 2, 2024 by ElliottKasoar
Add units to info enhancement New/improved feature or request
#277 opened Aug 14, 2024 by ElliottKasoar
Visual progress information during phonon calculations enhancement New/improved feature or request
#268 opened Aug 13, 2024 by ajjackson
1
1
Tab completion slow and raises warnings bug Something isn't working
#267 opened Aug 13, 2024 by ajjackson
1
1
Support the online correlator in the cli enhancement New/improved feature or request
#263 opened Aug 9, 2024 by harveydevereux
@harveydevereux
3
Add velocity observables enhancement New/improved feature or request
#262 opened Aug 9, 2024 by harveydevereux
@harveydevereux
post-process issues bug Something isn't working priority Urgent attention required
#253 opened Aug 8, 2024 by oerc0122
2 of 3 tasks
2
@oerc0122
3
support calculator lists enhancement New/improved feature or request
#240 opened Aug 2, 2024 by alinelena
1
Add support for nequip calculations enhancement New/improved feature or request priority Urgent attention required
#223 opened Jul 18, 2024 by alinelena
1
@alinelena
3
Add Bussi thermostat enhancement New/improved feature or request
#205 opened Jul 11, 2024 by ElliottKasoar
Split up helpers directory? enhancement New/improved feature or request
#144 opened May 13, 2024 by ElliottKasoar
1
Add option for pressure ramp in MD enhancement New/improved feature or request
#141 opened May 8, 2024 by ElliottKasoar
units enhancement New/improved feature or request
#131 opened May 4, 2024 by alinelena
md_summary prints null instead of default values. enhancement New/improved feature or request
#128 opened May 3, 2024 by alinelena
1
Refactor MD? enhancement New/improved feature or request
#124 opened Apr 26, 2024 by ElliottKasoar
2
Add visualisation via ZnDraw enhancement New/improved feature or request
#121 opened Apr 25, 2024 by ElliottKasoar
Migrate janus functionality enhancement New/improved feature or request
#117 opened Apr 22, 2024 by ElliottKasoar
2 of 4 tasks
Consider alternative log options enhancement New/improved feature or request
#102 opened Apr 5, 2024 by ElliottKasoar
1
Make writing MD trajectory optional enhancement New/improved feature or request
#93 opened Mar 27, 2024 by ElliottKasoar
@ElliottKasoar
ProTip! no:milestone will show everything without a milestone.