Open sajantanand opened 3 years ago
Merging #34 (a745bf3) into main (e73b9ee) will increase coverage by
0.16%
. The diff coverage is100.00%
.
@@ Coverage Diff @@
## main #34 +/- ##
==========================================
+ Coverage 98.84% 99.01% +0.16%
==========================================
Files 13 13
Lines 780 913 +133
==========================================
+ Hits 771 904 +133
Misses 9 9
Impacted Files | Coverage Δ | |
---|---|---|
src/fitting.py | 100.00% <100.00%> (ø) |
|
src/tests/test_fitting.py | 100.00% <100.00%> (ø) |
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Rather than just fit to a probability distribution on the surface of a unit sphere via the spherical harmonics, we will incorporate spherical harmonics (hydrogen radial basis functions) to allow for fitting to include energy information (norm of the vector in addition to angle).