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Fix change log, news file name
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bobleesj committed Oct 9, 2024
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59 changes: 59 additions & 0 deletions CHANGELOG.rst
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=============
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)
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23 changes: 23 additions & 0 deletions news/test-news.rst
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**Added:**

* <news item>

**Changed:**

* <news item>

**Deprecated:**

* <news item>

**Removed:**

* <news item>

**Fixed:**

* <news item>

**Security:**

* <news item>

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