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Fixes to Potential and Scale #138
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7497775
Convert a Series to a frame through the to_frame method in Series
sudarshanv01 02d54b6
Implement to_frame for sequence of series
sudarshanv01 c557f72
Alter to_frame to allow it to take in multiple y-inputs
sudarshanv01 efca677
Refactor to_frame
sudarshanv01 9d180c7
Add width to series
sudarshanv01 18b268d
assert in to_frame that the dimension of weight and y is the same
sudarshanv01 0bd3f51
Allow different length series to to_frame
sudarshanv01 cda4814
Create the to_csv method
sudarshanv01 be04713
Implement to_csv method in the Mixin class
sudarshanv01 0b35fe1
Add to_csv and to_frame to the Mixin class
sudarshanv01 30b0b13
Apply black and isort
sudarshanv01 f5a4881
Added not_core to tests needing pandas
sudarshanv01 bafcb11
black and isort code formatting
sudarshanv01 b6db94c
Added more not_core to graph tests
sudarshanv01 ad66601
Change resolve to absolute when getting absolute path for mixin tests
sudarshanv01 92b51a4
Added documentation for the and methods
sudarshanv01 623124a
Update developer depedencies with ipykernel
sudarshanv01 bcb6f89
Merge branch 'vasp-dev:master' into master
sudarshanv01 a907827
Allow install github actions to run on pull requests
sudarshanv01 0d5838f
Merge branch 'master' of github.com:sudarshanv01/py4vasp
sudarshanv01 7f8739f
Added pip installation of ipykernel into install.yaml
sudarshanv01 f4f1515
Merge branch 'vasp-dev:master' into master
sudarshanv01 5c1240d
add pre-commit-config.yaml and pre-commit as a dependency
sudarshanv01 9a32998
Merge branch 'master' of github.com:sudarshanv01/py4vasp
sudarshanv01 0671d9e
Merge branch 'master' of github.com:vasp-dev/py4vasp
sudarshanv01 e5e244e
Merge branch 'master' of github.com:vasp-dev/py4vasp
sudarshanv01 f578627
Merge branch 'master' of github.com:vasp-dev/py4vasp
sudarshanv01 c450c1e
Fix raw.potential schema, it should say /potential/<name>
sudarshanv01 3cfae1b
scale must be a VaspData type and not a float
sudarshanv01 c179ee5
Merge branch 'master' of github.com:vasp-dev/py4vasp into potential-f…
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Is the
src/py4vasp/_data
folder removed? I am not able to find it. However, there issrc/py4vasp/calculation/_structure.py
. I guess both of these files are the same.There was a problem hiding this comment.
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That is correct, the contents of
_data
have been moved tocalculation
. Accessing the contents of a calculation fromcalculation = Calculation.from_path(...)
should show no difference from earlier.