Fixing post sprint bugs - #148

Merged

arm61 merged 34 commits into

scippfrom

Aug 14, 2025

Commits on Jul 15, 2025

Fixing post sprint bugs
arm61
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e075645
Fixed tests for MDAnalysis parser
jd15489
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273b6a9
Remove underscore from the saving/loading methods
arm61
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9abf150
Get ASE parser nearly working, still problems with COM
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5cc237b
All linted and formated
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c49dd6a
fix tests
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4f50278
Bringing back more tests
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0551a21
More tests
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bf350d8

Commits on Jul 16, 2025

More tests
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4329f0b
Add save and load with Samples
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a8a603e

Commits on Jul 17, 2025

DJ notebook ready
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4e22394
MDA working
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6bea251
Ruffing
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475f953
Bring back CI ruff
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ecfc4f7
Dont lint docs
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d17d753
Restore
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f576397
Add exception
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7c8e914
More exceptions
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8bc6c1b
Reformat
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366039d

Commits on Jul 23, 2025

Fixed get_molecules indices and updated doc
Harry-Rich
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96038d1

Commits on Jul 25, 2025

Notebook fixed
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265191e
Ruff
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b251b49
Updated text
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2e50e07
Merge branch 'post-sprint' of github.com:kinisi-dev/kinisi into post-sprint
Harry-Rich
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b10654d
Change all the names
arm61
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27ad532
Tests fixed
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d5b16d8
Ruff
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788ea86

Commits on Jul 28, 2025

Turn off codeclimate
arm61
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83687df
Move to docstring
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da21314
Fix non orthorhombic
arm61
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39823a8

Commits on Aug 14, 2025

Added get_specie_and_drift_indices
jd15489
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a717133
Merge
arm61
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90e9aa1
Ruff
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22ba293
Update comment in parser.py
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a6505d6