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Feat: clearer separation of View logic some refinement code #142

Merged
merged 115 commits into from
Feb 23, 2024
Merged

Feat: clearer separation of View logic some refinement code #142

merged 115 commits into from
Feb 23, 2024

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martin-schlipf
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@martin-schlipf martin-schlipf commented Feb 22, 2024 •
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Closes #128

sudarshanv01 and others added 30 commits August 1, 2023 14:25
@sudarshanv01
Convert a Series to a frame through the to_frame method in Series
7497775
@sudarshanv01
Implement to_frame for sequence of series
02d54b6
@sudarshanv01
Alter to_frame to allow it to take in multiple y-inputs
c557f72
@sudarshanv01
Refactor to_frame
efca677
@sudarshanv01
Add width to series
9d180c7
@sudarshanv01
assert in to_frame that the dimension of weight and y is the same
18b268d
@sudarshanv01
Allow different length series to to_frame
0bd3f51
@sudarshanv01
Create the to_csv method
cda4814
@sudarshanv01
Implement to_csv method in the Mixin class
be04713
@sudarshanv01
Add to_csv and to_frame to the Mixin class
0b35fe1
@sudarshanv01
Apply black and isort
30b0b13
@sudarshanv01
Added not_core to tests needing pandas
f5a4881
@sudarshanv01
black and isort code formatting
bafcb11
@sudarshanv01
Added more not_core to graph tests
b6db94c
@sudarshanv01
Change resolve to absolute when getting absolute path for mixin tests
ad66601
@sudarshanv01
Added documentation for the and methods
92b51a4
@sudarshanv01
Update developer depedencies with ipykernel
623124a
@sudarshanv01
Merge branch 'vasp-dev:master' into master
bcb6f89
@sudarshanv01
Allow install github actions to run on pull requests
a907827
@sudarshanv01
Merge branch 'master' of github.com:sudarshanv01/py4vasp
0d5838f
@sudarshanv01
Added pip installation of ipykernel into install.yaml
7f8739f
@sudarshanv01
Merge branch 'vasp-dev:master' into master
f4f1515
@sudarshanv01
add pre-commit-config.yaml and pre-commit as a dependency
5c1240d
@sudarshanv01
Merge branch 'master' of github.com:sudarshanv01/py4vasp
9a32998
@sudarshanv01
Merge branch 'master' of github.com:vasp-dev/py4vasp
0671d9e
@sudarshanv01
Merge branch 'master' of github.com:vasp-dev/py4vasp
e5e244e
@sudarshanv01
Merge branch 'master' of github.com:vasp-dev/py4vasp
f578627
@sudarshanv01
Merge branch 'master' of github.com:vasp-dev/py4vasp
9f8a0ae
@sudarshanv01
Merge branch 'master' of github.com:vasp-dev/py4vasp
455275b
@sudarshanv01
Create View and a to_ngl() method
8aaa019
martin-schlipf and others added 28 commits February 21, 2024 09:18
@martin-schlipf
Adjust force for new View class
464564b
@martin-schlipf
Refactor force test
c7976fd
@martin-schlipf
Make force array have always have 3 dimensions
fc2bc10
@sudarshanv01
Implement color and radius
bfa1a4b
@martin-schlipf
Implement supercell
8c86acf
@martin-schlipf
First step to adjust magnetic moments for new View
067e11f
@martin-schlipf
Merge remote-tracking branch 'origin/viewer' into viewer
85ac453
@martin-schlipf
Fix tests for forces
b1935e1
@martin-schlipf
Refactor comparison of forces
3e64c3e
@martin-schlipf
Adjust Velocity for new View class
2ce46d9
@martin-schlipf
Implement supercell for magnetic moments
b72dadc
@martin-schlipf
POSCAR string parsing requires ASE and is not available in core
8265e79
@martin-schlipf
Remove unused parts of old viewer
e97409d
@sudarshanv01
fixes to add surface
b376876
@sudarshanv01
change default for axis and minor fixes
b96c38a
@sudarshanv01
Only one grid scalar for a trajectory is currently implemented
05d4fc7
@sudarshanv01
Add surface to the right component
a5fb3b8
@sudarshanv01
Allow arrows to cycle in supercell
5b9c160
@sudarshanv01
Recenter origin
7092e43
@sudarshanv01
Fix bug in origin
989f4a0
@sudarshanv01
Transform cell to standard form before passing it to the cube file
76f47b5
@sudarshanv01
Update grid scalars to the dimensions of the supercell
aa510a1
@sudarshanv01
hide methods that are not _to_ngl
9dee22b
@martin-schlipf
Fix transpose of density and potential
2a86958
@martin-schlipf
Fix format
1626740
@sudarshanv01
Refactor code
4b2d313
@sudarshanv01
Merge branch 'viewer' of github.com:vasp-dev/py4vasp into viewer
2aef692
@martin-schlipf
Refactor View class
ae7f57d
@martin-schlipf martin-schlipf merged commit 9ecd0ba into master Feb 23, 2024
21 checks passed
@martin-schlipf martin-schlipf deleted the viewer branch February 23, 2024 12:45
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Rewrite of the viewer logic
2 participants
@martin-schlipf @sudarshanv01