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feat: separate velocity autocorrelation function #8

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merged 1 commit into from
Nov 3, 2023
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@jung235 jung235 commented Nov 2, 2023

Add (unnormalized) $\mathrm{VACF}(t)$ to Trajectory and Ensemble.

@jung235 jung235 self-assigned this Nov 2, 2023
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codecov bot commented Nov 2, 2023

Codecov Report

Merging #8 (57f9f21) into main (22e496a) will increase coverage by 10.51%.
Report is 12 commits behind head on main.
The diff coverage is 51.72%.

Impacted file tree graph

@@             Coverage Diff             @@
##             main       #8       +/-   ##
===========================================
+ Coverage   46.28%   56.79%   +10.51%     
===========================================
  Files          30       32        +2     
  Lines         955     1030       +75     
===========================================
+ Hits          442      585      +143     
+ Misses        513      445       -68     
Files Coverage Δ
pydiffuser/_version.py 100.00% <100.00%> (ø)
pydiffuser/mech/fields.py 84.37% <ø> (ø)
tests/models/test_bm.py 100.00% <100.00%> (ø)
tests/tracer/test_ensemble.py 100.00% <100.00%> (ø)
tests/utils/test_jitted.py 100.00% <100.00%> (ø)
pydiffuser/tracer/component.py 73.68% <50.00%> (+5.26%) ⬆️
pydiffuser/_cli/cli.py 0.00% <0.00%> (ø)
pydiffuser/_cli/cli_utils.py 0.00% <0.00%> (ø)
pydiffuser/tracer/ensemble.py 42.85% <21.05%> (+8.62%) ⬆️
pydiffuser/tracer/trajectory.py 43.92% <21.05%> (+4.15%) ⬆️

... and 5 files with indirect coverage changes

@jung235 jung235 marked this pull request as ready for review November 2, 2023 12:14
@jung235 jung235 merged commit a56caaa into main Nov 3, 2023
9 checks passed
@jung235 jung235 deleted the feat/tracer branch November 3, 2023 06:16
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