pymatgen


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Resources related to pymatgen and previous discussions

In addition to this forum, resources related to pymatgen can be found at: pymatgen.org for official documentation matgenb for example Jupyter notebooks GitHub issues for bug reports and known issues prior to this fo…

2 November 8, 2019
About the pymatgen category 1 October 30, 2019
How to remove warning bandgap data 1 January 19, 2020
Hash failure for POTCAR 8 January 17, 2020
How can I collect the same dataset before change of database system 4 January 17, 2020
Nearest Neighbor, API 5 January 13, 2020
Finding the electron configuration of an ion 3 January 10, 2020
Pymatgen strange mendeleev numbers 3 January 10, 2020
Open mol file error 2 January 9, 2020
How to generate the VASP input files by using pymatgen 3 December 26, 2019
How to Replace the "_atom_site_label" into the Atomic charges? 1 December 26, 2019
A problem about OrderDisorderedStructure 1 December 6, 2019
How do I use the molecule_matcher function? 4 December 4, 2019
How do I change colors in DOSPlotter? 2 December 3, 2019
Remove one specie from cif files 2 December 3, 2019
Choosing which set of AdsorbateSiteFinder sites to use 4 November 27, 2019
MPRester issue from this month's update 2 November 26, 2019
How to convert hexagonal cell into tetragonal cell 3 November 12, 2019