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Issues list

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
Add tests for training/fine tuning enhancement New feature or request janus
#139 opened May 8, 2024 by ElliottKasoar
we may want fine tuning as a separate option since we need to check more stuff..
#137 opened May 4, 2024 by alinelena
1
4
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
file prefix results in inconsistent naming bug Something isn't working janus
#129 opened May 4, 2024 by alinelena
1
6
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
1
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
singlepoint shall be able to operate on multi image inputs enhancement New feature or request janus
#114 opened Apr 16, 2024 by alinelena
2
Fix restart bug Something isn't working janus
#108 opened Apr 10, 2024 by ElliottKasoar
@ElliottKasoar
6
Consider alternative log options enhancement New feature or request janus
#102 opened Apr 5, 2024 by ElliottKasoar
1
Add option for intel devices? enhancement New feature or request janus
#95 opened Mar 28, 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
add posibility to calculate descriptors enhancement New feature or request janus
#86 opened Mar 21, 2024 by alinelena
@ElliottKasoar
corrupted downloads crash janus core janus
#79 opened Mar 19, 2024 by alinelena
add equation of state example using all three potentials. enhancement New feature or request janus
#73 opened Mar 15, 2024 by alinelena
@alinelena
Add carbon tracker enhancement New feature or request janus
#68 opened Mar 12, 2024 by ElliottKasoar
@ElliottKasoar
add fine tuning enhancement New feature or request janus
#38 opened Feb 22, 2024 by alinelena
1
1
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
1 of 3 tasks
@alinelena
Create examples documentation Improvements or additions to documentation janus
#34 opened Feb 16, 2024 by ElliottKasoar
@ElliottKasoar
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