codecov[bot]
commented
1 year ago Codecov Report
Merging #189 (6ecf2c6) into develop (8901717) will increase coverage by
0.14%. The diff coverage is100.00%.
@@ Coverage Diff @@
## develop #189 +/- ##
===========================================
+ Coverage 91.66% 91.80% +0.14%
===========================================
Files 14 14
Lines 2364 2380 +16
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+ Hits 2167 2185 +18
+ Misses 197 195 -2 | Impacted Files | Coverage Δ | |
|---|---|---|
| atoMEC/config.py | 100.00% <100.00%> (ø) |
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| atoMEC/convergence.py | 100.00% <100.00%> (ø) |
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| atoMEC/numerov.py | 88.03% <100.00%> (+0.76%) |
:arrow_up: |
| atoMEC/postprocess/conductivity.py | 97.71% <100.00%> (ø) |
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| atoMEC/postprocess/localization.py | 93.96% <100.00%> (ø) |
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| atoMEC/staticKS.py | 95.55% <100.00%> (ø) |
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| atoMEC/xc.py | 98.40% <100.00%> (ø) |
It may be the case that, for many calculations, float 32 arithmetic provides a reasonable accuracy. Of course, this also reduces the storage load and memory requirements during matrix diagonlizations.
Float 64 is kept as the default, but this PR introduces float 32 as an option.