mendeleev - v1.0.0

What's Changed

• [MNT] Switch to PyPI Trusted Publishing by @lmmentel in https://github.com/lmmentel/mendeleev/pull/220
• [ENH] Add price per kg for elements by @lmmentel in https://github.com/lmmentel/mendeleev/pull/221
• [DOC] Add CONTRIBUTING.md and CODEOFCONDUCT.md by @lmmentel in https://github.com/lmmentel/mendeleev/pull/222
• [DOC] Formatting corrections for data docs by @lmmentel in https://github.com/lmmentel/mendeleev/pull/223
• [MNT] Add coverage print to CI by @lmmentel in https://github.com/lmmentel/mendeleev/pull/224
• [ENH] Add isotope method to access a single isotope from Element by @lmmentel in https://github.com/lmmentel/mendeleev/pull/225
• [FIX] Replace stored atomic volumes with computed ones by @lmmentel in https://github.com/lmmentel/mendeleev/pull/227
• [ENH] Update nuclear g-factor data by @lmmentel in https://github.com/lmmentel/mendeleev/pull/230
• [ENH] Update nuclear electric quadrupole moment data by @lmmentel in https://github.com/lmmentel/mendeleev/pull/231
• [MNT] Refactor and speed up Sanderson's electronegativity calculation by @lmmentel in https://github.com/lmmentel/mendeleev/pull/233
• [DOC] Add contributor's guide to the docs by @lmmentel in https://github.com/lmmentel/mendeleev/pull/234
• [MNT] Remove deprecated code and columns by @lmmentel in https://github.com/lmmentel/mendeleev/pull/235
• [ENH] Refactor __repr__ to ReprMixin for all models by @lmmentel in https://github.com/lmmentel/mendeleev/pull/236

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.20.1...1.0.0

- Python
Published by lmmentel 11 months ago

mendeleev - v0.20.1

What's Changed

• [DOC] Add a reference to mendeleev-data repo by @lmmentel in https://github.com/lmmentel/mendeleev/pull/217
• [DOC] Clean-up tutorial docs by @lmmentel in https://github.com/lmmentel/mendeleev/pull/218
• [FIX] Correct path for sqldiff by @lmmentel in https://github.com/lmmentel/mendeleev/pull/219

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.20.0...v0.20.1

- Python
Published by lmmentel about 1 year ago

mendeleev - v0.20.0

What's Changed

• [MNT] Add function to update model data from dataframe by @lmmentel in https://github.com/lmmentel/mendeleev/pull/207
• [ENH] Add Robles-Bartolotti and Gunnarsson-Lundqvist electronegativities by @lmmentel in https://github.com/lmmentel/mendeleev/pull/208
• [ENH] Add supply risk attributes from RSC by @lmmentel in https://github.com/lmmentel/mendeleev/pull/209
• [MNT] Add missing migration for supply risk attributes by @lmmentel in https://github.com/lmmentel/mendeleev/pull/210
• [MNT] Automating rendering documentation tables by @lmmentel in https://github.com/lmmentel/mendeleev/pull/211
• [FIX] Correct melting and boiling points for Carbon allotropes by @lmmentel in https://github.com/lmmentel/mendeleev/pull/214
• [MNT] Deprecate Element.annotation by @lmmentel in https://github.com/lmmentel/mendeleev/pull/215
• [MNT] Include python 3.13 in CI testing matrix by @lmmentel in https://github.com/lmmentel/mendeleev/pull/191
• [MNT] Increase test coverage by @lmmentel in https://github.com/lmmentel/mendeleev/pull/216

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.19.0...v0.20.0

- Python
Published by lmmentel about 1 year ago

mendeleev - v0.19.0

What's Changed

• [FIX] Correct the electronic configuration for Lr by @lmmentel in https://github.com/lmmentel/mendeleev/pull/190
• [FIX] Typo in changelog by @lmmentel in https://github.com/lmmentel/mendeleev/pull/196
• [MNT] Add dependency caching in CI by @lmmentel in https://github.com/lmmentel/mendeleev/pull/197
• [MNT] Improve performance of fetch_electronegativity by @lmmentel in https://github.com/lmmentel/mendeleev/pull/198
• [MNT] Bump versions of dev dependencies by @lmmentel in https://github.com/lmmentel/mendeleev/pull/200
• [MNT] Add pytest-xdist to dev deps and configure to use all cores by @lmmentel in https://github.com/lmmentel/mendeleev/pull/201
• [ENH] Update ionization energy data and metadata from NIST ASD by @lmmentel in https://github.com/lmmentel/mendeleev/pull/192
• [DOC] Update docs for atomic scattering factor by @lmmentel in https://github.com/lmmentel/mendeleev/pull/203
• [FIX] Update values of oxidation states by @lmmentel in https://github.com/lmmentel/mendeleev/pull/202
• [ENH] Add Miedema's scale of electronegativity by @lmmentel in https://github.com/lmmentel/mendeleev/pull/204
• [ENH] Improve data export by @lmmentel in https://github.com/lmmentel/mendeleev/pull/205
• [FIX] Fix footnotes on data doc page by @lmmentel in https://github.com/lmmentel/mendeleev/pull/206

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.18.1...v0.19.0

- Python
Published by lmmentel over 1 year ago

mendeleev - v0.18.1

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.18.0...v0.18.1

- Python
Published by lmmentel over 1 year ago

mendeleev - v0.18.0

What's Changed

• Bump tornado from 6.4 to 6.4.1 by @dependabot in https://github.com/lmmentel/mendeleev/pull/166
• Bump setuptools from 69.2.0 to 70.0.0 by @dependabot in https://github.com/lmmentel/mendeleev/pull/172
• Bump zipp from 3.18.1 to 3.19.1 by @dependabot in https://github.com/lmmentel/mendeleev/pull/170
• Bump certifi from 2024.2.2 to 2024.7.4 by @dependabot in https://github.com/lmmentel/mendeleev/pull/169
• Bump urllib3 from 2.2.1 to 2.2.2 by @dependabot in https://github.com/lmmentel/mendeleev/pull/167
• [ENH] Add atomic scattering factors by @lmmentel in https://github.com/lmmentel/mendeleev/pull/174
• [DOC] Update data documentation by @lmmentel in https://github.com/lmmentel/mendeleev/pull/175
• Bump jupyterlab from 4.2.4 to 4.2.5 by @dependabot in https://github.com/lmmentel/mendeleev/pull/176
• [DOC] Add api docs for the PhaseTransition model by @lmmentel in https://github.com/lmmentel/mendeleev/pull/181
• [DOC] Add phasetransitions table to data access docs by @lmmentel in https://github.com/lmmentel/mendeleev/pull/183
• [DOC] Correct the data export instructions by @lmmentel in https://github.com/lmmentel/mendeleev/pull/184
• [DOC] Add metadata on PhaseTransition and update docs by @lmmentel in https://github.com/lmmentel/mendeleev/pull/185
• [DOC] Update tutorial notebooks by @lmmentel in https://github.com/lmmentel/mendeleev/pull/187

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.17.0...v0.18.0

- Python
Published by lmmentel over 1 year ago

mendeleev - v0.17.0

What's Changed

• Add data export to various formats by @lmmentel in https://github.com/lmmentel/mendeleev/pull/151
• Create metadata table for stored properties by @lmmentel in https://github.com/lmmentel/mendeleev/pull/156
• Update Isotope.halflifeunit values by @lmmentel in https://github.com/lmmentel/mendeleev/pull/160
• Add section for alternative implementation of mendeleev to README by @lmmentel in https://github.com/lmmentel/mendeleev/pull/163
• Add Mendeleev.jl to README by @lmmentel in https://github.com/lmmentel/mendeleev/pull/164
• Use read-only SQLite connection by @jan-janssen in https://github.com/lmmentel/mendeleev/pull/165
• Fix fetch_table to be compatible across major pandas and sqlalchemy versions by @lmmentel in https://github.com/lmmentel/mendeleev/pull/159

New Contributors

• @jan-janssen made their first contribution in https://github.com/lmmentel/mendeleev/pull/165

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.16.2...v0.17.0

- Python
Published by lmmentel over 1 year ago

mendeleev - v0.16.2

What's Changed

• Fix ImportErrors not being raised by @lmmentel in https://github.com/lmmentel/mendeleev/pull/150
• Bump requests from 2.31.0 to 2.32.0 by @dependabot in https://github.com/lmmentel/mendeleev/pull/154

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.16.1...v0.16.2

- Python
Published by lmmentel almost 2 years ago

mendeleev - v0.16.1

What's Changed

• Bump jinja2 from 3.1.3 to 3.1.4 by @dependabot in https://github.com/lmmentel/mendeleev/pull/146
• Fix import error by @lmmentel in https://github.com/lmmentel/mendeleev/pull/148

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.16.0...v0.16.1

- Python
Published by lmmentel almost 2 years ago

mendeleev - v0.16.0

What's Changed

• Bump jupyterlab from 3.6.6 to 3.6.7 by @dependabot in https://github.com/lmmentel/mendeleev/pull/137
• Bump jinja2 from 3.1.2 to 3.1.3 by @dependabot in https://github.com/lmmentel/mendeleev/pull/136
• Bump pillow from 10.1.0 to 10.2.0 by @dependabot in https://github.com/lmmentel/mendeleev/pull/138
• Adopt ruff and pre-commit for linting and formatting by @lmmentel in https://github.com/lmmentel/mendeleev/pull/139
• Improve element not found by @Vi-L in https://github.com/lmmentel/mendeleev/pull/142
• Bump pillow from 10.2.0 to 10.3.0 by @dependabot in https://github.com/lmmentel/mendeleev/pull/143
• Bump idna from 3.6 to 3.7 by @dependabot in https://github.com/lmmentel/mendeleev/pull/144
• Defer loading element data until attribute access by @paulromano in https://github.com/lmmentel/mendeleev/pull/121

New Contributors

• @Vi-L made their first contribution in https://github.com/lmmentel/mendeleev/pull/142

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.15.0...v0.16.0

- Python
Published by lmmentel almost 2 years ago

mendeleev - v0.15.0

What's Changed

• Fix a few issues with README.md by @paulromano in https://github.com/lmmentel/mendeleev/pull/119
• Remove six dependency by @paulromano in https://github.com/lmmentel/mendeleev/pull/120
• Update abundance for 126Te isotope by @lmmentel in https://github.com/lmmentel/mendeleev/pull/123
• Add python 3.12 support and bump actions versions and poetry by @lmmentel in https://github.com/lmmentel/mendeleev/pull/134

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.14.0...v0.15.0

- Python
Published by lmmentel about 2 years ago

mendeleev - v0.14.0

What's Changed

• Bump tornado from 6.3.1 to 6.3.2 by @dependabot in https://github.com/lmmentel/mendeleev/pull/114
• Fix Mulliken electronegativity by @lmmentel in https://github.com/lmmentel/mendeleev/pull/116
• [FIX] Enable fetch of phase transition data by @lmmentel in https://github.com/lmmentel/mendeleev/pull/112
• Bump requests from 2.28.2 to 2.31.0 by @dependabot in https://github.com/lmmentel/mendeleev/pull/113

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.13.1...v0.14.0

- Python
Published by lmmentel over 2 years ago

mendeleev - v0.13.1

What's Changed

• Fix URL in references.bib by @paulromano in https://github.com/lmmentel/mendeleev/pull/108
• Fix import warning for declarative_base by @lmmentel in https://github.com/lmmentel/mendeleev/pull/109
• Add vis extra by @lmmentel in https://github.com/lmmentel/mendeleev/pull/110

New Contributors

• @paulromano made their first contribution in https://github.com/lmmentel/mendeleev/pull/108

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.13.0...v0.13.1

- Python
Published by lmmentel almost 3 years ago

mendeleev - v0.13.0

What's Changed

• [MNT] Relax dependencies for sqlalchemy and pandas and drop python 3.7 by @lmmentel in https://github.com/lmmentel/mendeleev/pull/103
• Bump ipython from 7.34.0 to 8.10.0 by @dependabot in https://github.com/lmmentel/mendeleev/pull/104
• [MNT] Add API docs for vis module by @lmmentel in https://github.com/lmmentel/mendeleev/pull/105

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.12.1...v0.13.0

- Python
Published by lmmentel almost 3 years ago

mendeleev - v0.12.1

What's Changed

• Add CodeQL workflow for GitHub code scanning by @lgtm-com in https://github.com/lmmentel/mendeleev/pull/89
• Fix number of valence electrons for Pd by @lmmentel in https://github.com/lmmentel/mendeleev/pull/92
• Type hints by @lmmentel in https://github.com/lmmentel/mendeleev/pull/93

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.12.0...v0.12.1

- Python
Published by lmmentel about 3 years ago

mendeleev - v0.12.0

What's Changed

• Configure concurrency in github actions by @lmmentel in https://github.com/lmmentel/mendeleev/pull/82
• Fix abundancies for elements with single stable isotope by @lmmentel in https://github.com/lmmentel/mendeleev/pull/80
• Add IsotopeDecayMode model and data by @lmmentel in https://github.com/lmmentel/mendeleev/pull/84
• Update boiling and melting point data, by @lmmentel in https://github.com/lmmentel/mendeleev/pull/88
• Include compatibility with python 3.11.

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.11.0...v0.12.0

- Python
Published by lmmentel over 3 years ago

mendeleev - Release v0.11.0

What's Changed

• Update data.rst by @Eben60 in https://github.com/lmmentel/mendeleev/pull/66
• Set discovery_location for Zinc to null by @lmmentel in https://github.com/lmmentel/mendeleev/pull/68
• Change "Oxidation states" to "Commonly occurring oxidation states" by @Eben60 in https://github.com/lmmentel/mendeleev/pull/69
• Add International Chemical Identifier property by @lmmentel in https://github.com/lmmentel/mendeleev/pull/76
• Update data for isotopes by @lmmentel in https://github.com/lmmentel/mendeleev/pull/74
• Update oxidataion states and add method to fetch values by @lmmentel in https://github.com/lmmentel/mendeleev/pull/77
• Documentation fixes by @lmmentel in https://github.com/lmmentel/mendeleev/pull/78

New Contributors

• @Eben60 made their first contribution in https://github.com/lmmentel/mendeleev/pull/66

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.10.0...v0.11.0

- Python
Published by lmmentel over 3 years ago

mendeleev - Release v0.10.0

What's Changed

• Fix README - conda installation. See #40 by @chicolucio in https://github.com/lmmentel/mendeleev/pull/41
• Fix the vdwradiusrt values to correspond to the reference by @lmmentel in https://github.com/lmmentel/mendeleev/pull/46
• Enable comparing Elements for equality by @lmmentel in https://github.com/lmmentel/mendeleev/pull/43
• Make math markup readable by using raw strings by @kalvdans in https://github.com/lmmentel/mendeleev/pull/48
• Use r before string constants containing literal backslashes by @kalvdans in https://github.com/lmmentel/mendeleev/pull/53
• Refactor by @lmmentel in https://github.com/lmmentel/mendeleev/pull/62
• Correct specific heat capacity values and add molar heat capacities by @lmmentel in https://github.com/lmmentel/mendeleev/pull/61
• Update dependencies by @lmmentel in https://github.com/lmmentel/mendeleev/pull/63

New Contributors

• @chicolucio made their first contribution in https://github.com/lmmentel/mendeleev/pull/41

Full Changelog: https://github.com/lmmentel/mendeleev/compare/v0.9.0...v0.10.0

- Python
Published by lmmentel over 3 years ago

mendeleev - 0.9.0 Update density values

• Correct density data with CRC Handbook of Chemistry and Physics as the data source PR#39 that fixes issue #38.
• Fix plotly based visualizations not rendering at https://mendeleev.readthedocs.io.
• Add DOI number to citation.

- Python
Published by lmmentel over 4 years ago

mendeleev - Refactor visualizations and add plotly support

• Enable plotting periodic tables with plotly as well as bokeh backends through mendeleev.vis.plotly.periodic_table_plotly and mendeleev.vis.bokeh.periodic_table_bokeh functions.
• Add mendeleev.vis.periodic_table function for convenient periodic table plotting wrapping both plotting backends.
• Refactored the mendeleev.vis module so it can be wasily extended with plotting backends.
• Add CITATION.cff file.
  

- Python
Published by lmmentel over 4 years ago