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16 Open 1 Closed
16 Open 1 Closed
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Issues list

Fix incorrect unit label when plotting bug Something isn't working
#26 opened Dec 14, 2022 by lucydot
Create a legend for the potentials plot bug Something isn't working
#18 opened Sep 15, 2022 by lucydot
Write unit tests using pytest testing
#16 opened Sep 14, 2022 by lucydot
Write/improve module/class/function docstrings documentation Improvements or additions to documentation good first issue Good for newcomers
#15 opened Sep 14, 2022 by lucydot
Fix the check_attributes method within the Calculations class bug Something isn't working
#13 opened Sep 13, 2022 by lucydot
Automatically transpose the pressure array good first issue Good for newcomers
#11 opened Sep 13, 2022 by lucydot
Remove references to phonopy-FHI-aims from the documentation documentation Improvements or additions to documentation good first issue Good for newcomers
#10 opened Sep 13, 2022 by prakayastha
Option to create a material with multiple calculation instances enhancement New feature or request
#9 opened Sep 13, 2022 by lucydot
Allow users to calculate thermodynamic potentials without specifying phonon data enhancement New feature or request
#8 opened Sep 13, 2022 by lucydot
Do not pre-specify the xc-keyword options in the Calculations class bug Something isn't working
#7 opened Sep 13, 2022 by lucydot
1
Create a command-line-interface for common use cases of ThermoPot enhancement New feature or request
#6 opened Sep 13, 2022 by lucydot
Allow automatic scaling of the plot colorbar in potential and potentials bug Something isn't working
#5 opened Sep 13, 2022 by lucydot
Think about renaming the variable used for the Gibbs free energy good first issue Good for newcomers
#4 opened Sep 13, 2022 by lucydot
Check if the phonon_filepath is correct when creating materials.Solid instance good first issue Good for newcomers
#3 opened Sep 13, 2022 by lucydot
Make code less fragile and more extendable - Use ASE! enhancement New feature or request
#2 opened Sep 13, 2022 by lucydot
Combine the Potential and Potentials classes refactoring
#1 opened Sep 13, 2022 by lucydot
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