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pre-commit-ci[bot] committed Feb 4, 2022
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2 changes: 1 addition & 1 deletion .github/workflows/linting.yml
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Expand Up @@ -39,4 +39,4 @@ jobs:
pydocstyle --count pymatgen
- name: pylint
run: |
pylint pymatgen
pylint pymatgen
2 changes: 1 addition & 1 deletion COPYRIGHT
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Expand Up @@ -31,4 +31,4 @@ THE UNIVERSITY OF CALIFORNIA SPECIFICALLY DISCLAIMS ANY WARRANTIES, INCLUDING,
BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A
PARTICULAR PURPOSE. THE SOFTWARE PROVIDED HEREUNDER IS ON AN "AS IS" BASIS, AND
THE UNIVERSITY OF CALIFORNIA HAS NO OBLIGATIONS TO PROVIDE MAINTENANCE, SUPPORT,
UPDATES, ENHANCEMENTS, OR MODIFICATIONS.
UPDATES, ENHANCEMENTS, OR MODIFICATIONS.
2 changes: 1 addition & 1 deletion LICENSE
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Expand Up @@ -24,4 +24,4 @@ DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
6 changes: 3 additions & 3 deletions README.rst
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Expand Up @@ -37,7 +37,7 @@ If you use pymatgen-diffusion in your research, please cite the following
work::

Deng, Z.; Zhu, Z.; Chu, I.H.; Ong, S. P. Data-Driven First-Principles
Methods for the Study and Design of Alkali Superionic Conductors,
Methods for the Study and Design of Alkali Superionic Conductors,
Chem. Mater., 2016, acs.chemmater.6b02648, doi:10.1021/acs.chemmater.6b02648.

You should also include the following citation for the pymatgen core package
Expand All @@ -48,14 +48,14 @@ given that it forms the basis for most of the analyses::
Persson, Gerbrand Ceder. *Python Materials Genomics (pymatgen) : A Robust,
Open-Source Python Library for Materials Analysis.* Computational
Materials Science, 2013, 68, 314-319. doi:10.1016/j.commatsci.2012.10.028.

In addtion, some of the analyses may also have relevant publications that
you should cite. Please consult the documentation of each module.

Contributing
============

We welcome contributions in all forms. If you'd like to contribute, please
We welcome contributions in all forms. If you'd like to contribute, please
fork this repository, make changes and send us a pull request!

Acknowledgements
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10,024 changes: 5,012 additions & 5,012 deletions examples/CHGCAR_new2.vasp

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10,024 changes: 5,012 additions & 5,012 deletions pymatgen/analysis/diffusion/aimd/tests/CHGCAR_new.vasp

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2 changes: 1 addition & 1 deletion pymatgen/analysis/diffusion/aimd/tests/cNa3PS4_pda.json

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Expand Up @@ -24,7 +24,7 @@ Direct
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Expand Up @@ -8,4 +8,3 @@ Mg
Direct
0.125 0.125 0.5 Mg
0.875 0.875 0.5 Mg

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