Discussions

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  How to change atom's radius in StructureVis module

  thienbinh92 asked Nov 19, 2022 in Q&A · Unanswered

  

  

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  Problem with MPRester in pymatgen 2022.9.21

  help Q&A support-style issues

  Arindamsannyal asked Oct 14, 2022 in Q&A · Closed · Unanswered

  

  

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  Structure.get_subgraphs_as_molecules() breaks molecules

  OphirKa asked Aug 21, 2022 in Q&A · Unanswered

  

  

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  What is the best way to rearrange the lattice vectors of a structure object?

  mm04926412 asked Aug 26, 2022 in Q&A · Answered

  

  

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  Is it possible to get the minimum self distance for a unit cell?

  mm04926412 asked Aug 26, 2022 in Q&A · Answered

  

  

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  Can we perform Wigner-Seitz defect analysis using Pymatgen?

  DingChangjie asked Jul 21, 2022 in Q&A · Unanswered

  

  

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  The usage of maximum_distance_factor in LocalGeometryFinder.compute_structure_environments

  Jeff-oakley asked Jul 1, 2022 in Q&A · Unanswered

  

  

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  How to use add_polyhedron() function in class StructureVis()

  thienbinh92 asked Jun 22, 2022 in Q&A · Answered

  

  

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  Preserve original _atom_site_label while Structure.from_file and cifparser

  Ardalanhayatifar asked Apr 21, 2022 in Q&A · Answered

  

  

  

  

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  Diffusivity at extrapolated temp in mS/cm

  thienbinh92 asked May 29, 2022 in Q&A · Answered

  

  

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  DiffusionAnalyzer: initial and final structures do not match.

  thienbinh92 asked May 17, 2022 in Q&A · Answered

  

  

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  Pymatgen 2022.04.19 for generating interfaces

  Jeff-oakley asked Apr 23, 2022 in Q&A · Answered

  

  

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  Downloading sub packages for analysis

  ghost asked May 16, 2022 in Q&A · Answered

  

  

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  Molecules in supercells

  majordt asked Apr 17, 2022 in Q&A · Answered

  

  

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  Shared I/O library for scientific packages.

  pfebrer started Feb 22, 2022 in Ideas

  

  

  

  

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  defect analysis as an add-on package

  jmmshn started Jan 26, 2022 in Ideas

  

  

  

  

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