From 1d36d922a7ef3f4fe25e3156d2ff82a99b3bb0cf Mon Sep 17 00:00:00 2001 From: Sangjoon Bob Lee Date: Wed, 9 Oct 2024 17:49:15 -0400 Subject: [PATCH] Fix change log, news file name --- CHANGELOG.rst | 59 +++++++++++++++++++++++++++ news/{delete-mypi => delete-mypi.rst} | 0 news/test-news.rst | 23 +++++++++++ 3 files changed, 82 insertions(+) create mode 100644 CHANGELOG.rst rename news/{delete-mypi => delete-mypi.rst} (100%) create mode 100644 news/test-news.rst diff --git a/CHANGELOG.rst b/CHANGELOG.rst new file mode 100644 index 0000000..9a1ab68 --- /dev/null +++ b/CHANGELOG.rst @@ -0,0 +1,59 @@ +============= +Release Notes +============= + +.. current developments + +1.0.4 +===== + +**Fixed:** + +* do not print atom site info during Cif init + +1.0.3 +===== + +**Added:** + +* support .cif file formats of PCD, COD, Materials Studio, ICSD + +**Fixed:** + +* update `U` Pauling CN12 value from 1.51 to 1.516 + + +1.0.2 +===== + +**Added:** + +* initializing progress statement for `CifEnsemble` to enhance user experience (https://github.com/bobleesj/cifkit/issues/12) +* print option for `compute_connections` in CifEnsemble (https://github.com/bobleesj/cifkit/issues/13) +* preprocessing option for `CifEnsemble` to handle input data more flexibly (https://github.com/bobleesj/cifkit/issues/15) + +**Fixed:** + +* error computing polyhedron metrics: index 4 is out of bounds for axis 0 with size 4 (https://github.com/bobleesj/cifkit/issues/10) +* warning for using categorical units to plot a list of strings for histogram generation (https://github.com/bobleesj/cifkit/issues/11) +* misclassification issue during preprocessing: do not move to 'others' folder if elements do not belong to Mendeleev table (https://github.com/bobleesj/cifkit/issues/14) + + +1.0.1 +===== + +**Fixed:** + +* error computing polyhedron metrics: index 4 is out of bounds (https://github.com/bobleesj/cifkit/issues/10) + + +1.0.0 +===== + +**Added:** + +* issue and pull request templates. + +### Fixed + +* duplicate connected points in connections with atomic mixing (https://github.com/bobleesj/cifkit/issues/7) diff --git a/news/delete-mypi b/news/delete-mypi.rst similarity index 100% rename from news/delete-mypi rename to news/delete-mypi.rst diff --git a/news/test-news.rst b/news/test-news.rst new file mode 100644 index 0000000..790d30b --- /dev/null +++ b/news/test-news.rst @@ -0,0 +1,23 @@ +**Added:** + +* + +**Changed:** + +* + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* + +**Security:** + +*