Documentation improvement for get_conventional_standard_structure (@tom-wood, #2100)
v2022.0.5
Bug fix to remove possibility of duplicate edges in StructureGraph (@mkhorton, #2095)
v2022.0.4 / v2021.3.9
Element now has ionization_energies, ionization_energy and
electron_affinity properties.
Extensive documentation has been added on pymatgen compatibility and the
new namespace architecture! We have also released a
template repo <https://github.com/materialsproject/pymatgen-addon-template>_
to help new developers write add-ons for pymatgen! Check out our
:doc:contributing page</contributing> for details.
v2022.0.3
Another bug fix release! Now SETTINGS have been moved to pymatgen.core.
v2022.0.2 (Yanked)
Bug fix release for missing package data files in v2022.0.1
v2022.0.1 (Yanked)
pymatgen, pymatgen.ext, pymatgen.io and pymatgen.analysis are now
namespace packages. Note that this does not affect normal usage of pymatgen
from v2022.0.0. All imports remain the same. However, it does allow developers
to write "add-ons" to these subpackages. A full documentation with examples
and templates is in the works to guide developers on how to write these
packages.
v2022.0.0 (Yanked)
This is the new version of pymatgen going forward. Root-level imports have been removed. Please see
https://pymatgen.org/compatibility.html on how to update your code for compatibility with v2022.
v2021.3.5
Backwards incompatible changes in v2021.3.4 have been removed. Instead another semantic version v2022.0.0 has been
released. Future critical bug fixes will be backported to v2021.x.x, but the main line of development will occur on
v2022.0.0 onwards.
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Updates the requirements on pymatgen to permit the latest version.
Release notes
Sourced from pymatgen's releases.
Changelog
Sourced from pymatgen's changelog.
... (truncated)
Commits
68e4ebd
Update changelogd819bd0
Merge branch 'master' of github.com:materialsproject/pymatgen058d3be
Reparsed data file for XPS. Add galore optional dependency.529e609
Update changelog6ac85c5
Set version191d491
Merge branch 'master' of github.com:materialsproject/pymatgen501ce4d
Generalize smearing code in spectrum.e796100
Merge pull request #2111 from rkingsbury/production_mp2020976923d
Merge branch 'production_mp2020' of https://github.com/rkingsbury/pymatgen in...f3b0df2
rm MP2020 deprecation warning from testDependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting
@dependabot rebase
.Dependabot commands and options
You can trigger Dependabot actions by commenting on this PR: - `@dependabot rebase` will rebase this PR - `@dependabot recreate` will recreate this PR, overwriting any edits that have been made to it - `@dependabot merge` will merge this PR after your CI passes on it - `@dependabot squash and merge` will squash and merge this PR after your CI passes on it - `@dependabot cancel merge` will cancel a previously requested merge and block automerging - `@dependabot reopen` will reopen this PR if it is closed - `@dependabot close` will close this PR and stop Dependabot recreating it. You can achieve the same result by closing it manually - `@dependabot ignore this major version` will close this PR and stop Dependabot creating any more for this major version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this minor version` will close this PR and stop Dependabot creating any more for this minor version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this dependency` will close this PR and stop Dependabot creating any more for this dependency (unless you reopen the PR or upgrade to it yourself)