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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/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 Improvements or additions to documentation
good first issue
Good for newcomers
phonopy-FHI-aims
from the documentation
documentation
#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
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 Something isn't working
potential
and potentials
bug
#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 Good for newcomers
phonon_filepath
is correct when creating materials.Solid
instance
good first issue
#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
ProTip!
Adding no:label will show everything without a label.