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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## develop #560 +/- ##
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+ Coverage 91.78% 91.82% +0.04%
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Files 77 77
Lines 11996 12026 +30
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+ Hits 11010 11043 +33
+ Misses 986 983 -3 ☔ View full report in Codecov by Sentry. |
richardotis
approved these changes
Aug 5, 2024
- Support wildcard expansion for sublattice index (required adding sublattice index = '*' as valid) - Change behavior of compute_property for site fractions to return NaN if the phase is not stable (previously we were returning zero)
richardotis
approved these changes
Aug 5, 2024
bocklund
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Aug 6, 2024
Addresses the following cases with a test: - Fixes wildcard expansion on components (for properties without a sublattice index) to expand on non-vacant pure elements. With proper component support, we would go back to using `self.components`, but currently `self.components` contain all phase constituents, including, for example, vacancies - Adds `expand_wildcard` on components for chemical potentials - Fixes wildcard expansion for properties where expansions are on phase constituents, such as site fractions - Adds support for wildcard expansion on sublattice indices (required adding `sublattice index = '*'` as valid). - Change behavior of compute_property for site fractions to return NaN if the phase is not stable (previously we were returning zero)
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Fixes the following cases with a test:
self.components, but currentlyself.componentscontain all phase constituents, including, for example, vacanciesexpand_wildcardon components for chemical potentialssublattice index = '*'as valid).