brainandforce / Electrum.jl

A Julian toolkit for solid-state chemical theory.
MIT License
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Fix outstanding bugs in XSF writing #174

Closed brainandforce closed 1 year ago

brainandforce commented 1 year ago

There were a lot of references to the old RealSpaceDataGrid struct that no longer exists. This should fix all of those issues.

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 25.00% and no project coverage change.

Comparison is base (55dd278) 52.67% compared to head (29e7e11) 52.67%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #174 +/- ## ======================================= Coverage 52.67% 52.67% ======================================= Files 18 18 Lines 1363 1363 ======================================= Hits 718 718 Misses 645 645 ``` | [Impacted Files](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/174?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores) | Coverage Δ | | |---|---|---| | [src/software/xcrysden.jl](https://app.codecov.io/gh/brainandforce/Electrum.jl/pull/174?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Brandon+Flores#diff-c3JjL3NvZnR3YXJlL3hjcnlzZGVuLmps) | `55.72% <25.00%> (ø)` | |

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