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24 Open 89 Closed
24 Open 89 Closed
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Issues list

add support for nequip enhancement New feature or request janus
#223 opened Jul 18, 2024 by alinelena
@alinelena
3
Tidy phonons Python interface enhancement New feature or request janus
#207 opened Jul 11, 2024 by ElliottKasoar
@ElliottKasoar
Tidy/unify calculations options enhancement New feature or request janus
#206 opened Jul 11, 2024 by ElliottKasoar
1 of 5 tasks
@ElliottKasoar
Add Bussi thermostat enhancement New feature or request janus
#205 opened Jul 11, 2024 by ElliottKasoar
Add SinglePoint.run setting for invalidate_calc? enhancement New feature or request janus
#184 opened Jun 5, 2024 by ElliottKasoar
Rename vectors_only janus
#180 opened Jun 3, 2024 by ElliottKasoar
1
Add auto restart for MD enhancement New feature or request janus
#169 opened May 30, 2024 by ElliottKasoar
Split up helpers directory? janus
#144 opened May 13, 2024 by ElliottKasoar
1
Add option for pressure ramp in MD enhancement New feature or request janus
#141 opened May 8, 2024 by ElliottKasoar
Fix CLI help bug Something isn't working janus
#140 opened May 8, 2024 by ElliottKasoar
md summary and log shall follow same naming scheme as the rest of the files
#132 opened May 4, 2024 by alinelena
1
units
#131 opened May 4, 2024 by alinelena
md_summary prints null instead of default values. enhancement New feature or request janus
#128 opened May 3, 2024 by alinelena
1
Refactor MD?
#124 opened Apr 26, 2024 by ElliottKasoar
2
Add visualisation via ZnDraw enhancement New feature or request janus
#121 opened Apr 25, 2024 by ElliottKasoar
Migrate janus functionality enhancement New feature or request janus
#117 opened Apr 22, 2024 by ElliottKasoar
3 tasks
Consider alternative log options enhancement New feature or request janus
#102 opened Apr 5, 2024 by ElliottKasoar
1
Make writing MD trajectory optional enhancement New feature or request janus
#93 opened Mar 27, 2024 by ElliottKasoar
@ElliottKasoar
Add configuration of output file headers enhancement New feature or request janus
#90 opened Mar 26, 2024 by ElliottKasoar
corrupted downloads crash janus core janus
#79 opened Mar 19, 2024 by alinelena
add data reduction to hdf5 enhancement New feature or request janus
#37 opened Feb 22, 2024 by alinelena
add training infrastructure for mace... janus
#35 opened Feb 22, 2024 by alinelena
2 of 3 tasks
@alinelena
Create examples documentation Improvements or additions to documentation janus
#34 opened Feb 16, 2024 by ElliottKasoar
14 of 27 tasks
@alinelena @ElliottKasoar
@oerc0122 @federicazanca
Add user/dev guide documentation Improvements or additions to documentation janus
#23 opened Feb 8, 2024 by ElliottKasoar
4 of 7 tasks
@ElliottKasoar
1
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