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How to retrieve data as a Molecule object via MPRester
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3
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49
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September 21, 2021
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MPRester: Complex queries
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4
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67
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September 16, 2021
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Recover a composition from ElementFraction
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1
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34
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September 13, 2021
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New issues with materialsvirtuallab notebook and cohesive energy
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1
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38
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September 10, 2021
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Finding Symmetry Equivalent Bonds (neighbors)
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2
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46
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September 3, 2021
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How do you guys pick the VASP settings for your dielectric calcs?
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0
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59
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August 29, 2021
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Error for creating workflow with atomate
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0
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43
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August 27, 2021
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Pymatgen complaining about missing deprecated POTCAR files
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6
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141
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August 19, 2021
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ASEAtomstoStructure Featurizer not Working
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3
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62
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August 17, 2021
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Pymatgen sub-package for lifting a surface layer in z (c) direction
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3
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84
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August 11, 2021
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Interpolating structures using the structure.interpolate()
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0
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58
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August 3, 2021
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No module named 'pymatgen.symmetry.kpath'
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2
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90
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July 27, 2021
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Mn doped SmFeO3 property prediction
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14
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160
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July 27, 2021
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Creating oriented structure in pymatgen
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0
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86
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July 23, 2021
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The lattice vectors of primitive cell found by pymatgen is negative?
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0
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57
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July 19, 2021
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How to write structure to POSCAR file after replace by another atom?
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4
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116
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July 14, 2021
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Error while using MagneticStructureEnumerator
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8
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101
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July 13, 2021
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Generating a supercell from a material's structure data
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4
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78
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July 13, 2021
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Pymatgen Battery Module
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0
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49
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July 8, 2021
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Voronoi volumes of all atoms in structure
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0
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43
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July 5, 2021
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Cannot Import name 'coord_cython' from 'pymatgen.util'
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0
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72
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July 4, 2021
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Editing the magnetic moment of specific sites
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0
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36
|
July 1, 2021
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Cif File Zone Axis
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0
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60
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June 24, 2021
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E Above Hull Calculation Error for Supercell
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0
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69
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June 9, 2021
|
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Slit pores on pymatgen
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1
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61
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June 7, 2021
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ICSD_ID tag not working
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3
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72
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June 2, 2021
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Some questions about the pymatgen library
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0
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78
|
May 24, 2021
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Sorting atoms in pymatgen.core.structure.Structure in ascending z direction and setting MAGMOM for Magnetism
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5
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138
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June 1, 2021
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Finding energy above hull for unstable (unprocessed) Pourbaix entries
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1
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67
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May 26, 2021
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Unable to generate slabs for TiO2
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1
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68
|
May 26, 2021
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