brainandforce / Electrum.jl

A Julian toolkit for solid-state chemical theory.
MIT License
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`nonzero_g_indices` and `nonzero_g_vectors` functions #196

Closed brainandforce closed 1 year ago

brainandforce commented 1 year ago

In many cases, a wavefunction will have a significant number of G-vectors with no coefficients ever having a nonzero value. This allows a user to obtain a Vector{CartesianIndex{D}} or a Vector{SVector{D}} of the nonzero G-vectors depending on the need.

codecov[bot] commented 1 year ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (18ea574) 59.27% compared to head (00c4104) 59.63%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #196 +/- ## ========================================== + Coverage 59.27% 59.63% +0.36% ========================================== Files 20 20 Lines 1429 1432 +3 ========================================== + Hits 847 854 +7 + Misses 582 578 -4 ``` | [Files](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/196?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores) | Coverage Δ | | |---|---|---| | [src/Electrum.jl](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/196?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL0VsZWN0cnVtLmps) | `60.00% <ø> (ø)` | | | [src/data/wavefunctions.jl](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/196?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL2RhdGEvd2F2ZWZ1bmN0aW9ucy5qbA==) | `72.72% <100.00%> (+6.06%)` | :arrow_up: | ... and [1 file with indirect coverage changes](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/196/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores)

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