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38 Open 63 Closed
38 Open 63 Closed
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Issues list

Error from test_run_opt aiida-mlip to help filter the issues bug Something isn't working
#158 opened Oct 17, 2024 by ElliottKasoar
1
@ElliottKasoar
1
Update pre-commit aiida-mlip to help filter the issues documentation Improvements or additions to documentation enhancement New feature or request
#157 opened Oct 17, 2024 by ElliottKasoar
@ElliottKasoar
Update docs aiida-mlip to help filter the issues documentation Improvements or additions to documentation
#156 opened Oct 16, 2024 by ElliottKasoar
8 tasks
handle errors from the calculations, can the training go on even if some calculations fail? aiida-mlip to help filter the issues
#155 opened Jul 31, 2024 by federicazanca
1
tests for workgraphs aiida-mlip to help filter the issues help wanted Extra attention is needed
#154 opened Jul 31, 2024 by federicazanca
Replace opt_kwargs with minimize_kwargs aiida-mlip to help filter the issues bug Something isn't working
#152 opened Jul 18, 2024 by federicazanca
Remove filepath and useless functions in configfile aiida-mlip to help filter the issues bug Something isn't working
#151 opened Jul 10, 2024 by federicazanca
add training workchain aiida-mlip to help filter the issues enhancement New feature or request
#148 opened Jul 5, 2024 by federicazanca
3 of 10 tasks
1
@federicazanca
add high-throughput screening workchain
#146 opened Jul 5, 2024 by federicazanca
2 tasks
Model check in config file aiida-mlip to help filter the issues bug Something isn't working
#143 opened Jun 12, 2024 by federicazanca
@federicazanca
add tests for train parser
#133 opened May 30, 2024 by federicazanca
@federicazanca
make common pattern a function
#126 opened May 20, 2024 by federicazanca
change yaml to yml for consistency aiida-mlip to help filter the issues
#125 opened May 20, 2024 by federicazanca
@federicazanca
Incorrect help for janus config file input aiida-mlip to help filter the issues documentation Improvements or additions to documentation
#124 opened May 16, 2024 by ElliottKasoar
implement a proper cli aiida-mlip to help filter the issues
#122 opened May 13, 2024 by federicazanca
4 tasks
@federicazanca
change default inputs aiida-mlip to help filter the issues bug Something isn't working
#114 opened Apr 23, 2024 by federicazanca
@federicazanca
1
cached_property for file data
#113 opened Apr 19, 2024 by federicazanca
Decide how much technical info should go in the user guide
#112 opened Apr 19, 2024 by federicazanca
Rename CLI options
#110 opened Apr 12, 2024 by ElliottKasoar
config file to aiida aiida-mlip to help filter the issues
#108 opened Apr 11, 2024 by federicazanca
4
get_builder aiida-mlip to help filter the issues
#106 opened Apr 10, 2024 by federicazanca
2
data upload to materials cloud aiida-mlip to help filter the issues
#105 opened Apr 9, 2024 by federicazanca
add instructions to setup janus as aiida code
#101 opened Mar 27, 2024 by alinelena
raise errors for geometry optimisation aiida-mlip to help filter the issues bug Something isn't working
#100 opened Mar 19, 2024 by federicazanca
convert kwargs to Dict aiida-mlip to help filter the issues bug Something isn't working
#99 opened Mar 19, 2024 by federicazanca
@federicazanca
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