Closed davpoolechem closed 4 years ago
Merging #15 into development will increase coverage by
0.39%
. The diff coverage is98.75%
.
@@ Coverage Diff @@
## development #15 +/- ##
===============================================
+ Coverage 71.17% 71.56% +0.39%
===============================================
Files 11 11
Lines 732 721 -11
===============================================
- Hits 521 516 -5
+ Misses 211 205 -6
Impacted Files | Coverage Δ | |
---|---|---|
src/rhf/RHFHelpers.jl | 92.24% <ø> (+1.56%) |
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src/rhf/RHFSCF.jl | 80.78% <98.43%> (+0.32%) |
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src/basis/JCBasis.jl | 75.00% <100.00%> (+1.92%) |
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New changes have been added to the code to improve memory optimization. Such changes include:
-Conversion of structs to immutable -Removal of redundant arrays and replacement with workspace arrays -Changes to DIIS