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============= | ||
Release Notes | ||
============= | ||
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.. current developments | ||
1.0.4 | ||
===== | ||
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**Fixed:** | ||
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* do not print atom site info during Cif init | ||
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1.0.3 | ||
===== | ||
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**Added:** | ||
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* support .cif file formats of PCD, COD, Materials Studio, ICSD | ||
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**Fixed:** | ||
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* update `U` Pauling CN12 value from 1.51 to 1.516 | ||
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1.0.2 | ||
===== | ||
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**Added:** | ||
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* 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) | ||
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**Fixed:** | ||
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* 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) | ||
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1.0.1 | ||
===== | ||
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**Fixed:** | ||
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* error computing polyhedron metrics: index 4 is out of bounds (https://github.com/bobleesj/cifkit/issues/10) | ||
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1.0.0 | ||
===== | ||
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**Added:** | ||
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* issue and pull request templates. | ||
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### Fixed | ||
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* duplicate connected points in connections with atomic mixing (https://github.com/bobleesj/cifkit/issues/7) |
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**Deprecated:** | ||
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