diff --git a/CHANGELOG b/CHANGELOG index 3d4f44a..b1d4e8d 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -1,4 +1,12 @@ -## [0.32] - 2024-07-04 +## [1.0.1] - 2024-07-05 + +### Fixed + +- Error computing polyhedron metrics: index 4 is out of bounds, see [Issue #10](https://github.com/bobleesj/cifkit/issues/10). + + + +## [1.0.0] - 2024-07-04 ### Added diff --git a/README.md b/README.md index 09bbe86..515c8f3 100644 --- a/README.md +++ b/README.md @@ -130,6 +130,7 @@ By structures: ## Project using cifkit - CIF Bond Analyzer (CBA) - extract and visualize bonding patterns - [DOI](https://doi.org/10.1016/j.jallcom.2023.173241) | [GitHub](https://github.com/bobleesj/cif-bond-analyzer) +- CIF Cleaner - move, copy .cif files based on attributes - [GitHub](https://github.com/bobleesj/cif-cleaner) ## How to ask for help or contribute diff --git a/docs/index.md b/docs/index.md index 787ced5..e5711e9 100644 --- a/docs/index.md +++ b/docs/index.md @@ -142,4 +142,5 @@ Now, if you are interested in working with individual `.cif` files and learn mor ## Research projects using `cifkit` - CIF Bond Analyzer (CBA) - extract and visualize bonding patterns - [DOI](https://doi.org/10.1016/j.jallcom.2023.173241) | [GitHub](https://github.com/bobleesj/cif-bond-analyzer) +- CIF Cleaner - move, copy .cif files based on attributes - [GitHub](https://github.com/bobleesj/cif-cleaner) - Structure Analysis/Featurizer (SAF) - build geometric features for binary, ternary compounds - [GitHub](https://github.com/bobleesj/structure-analyzer-featurizer)