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How to define complex defect
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5
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1599
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January 18, 2024
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Is there any way we can validate MOF structure with the help of this package?
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0
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153
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January 16, 2024
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How to calculate the geometric features using pymatgen or direct zeo++
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0
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218
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January 5, 2024
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Can not import name pymatgen.io.vasp.inputs
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0
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137
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December 22, 2023
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What is the Tolerance Level for Identifying a “Single Layer” in SlabGenerator? Can it Be Modified?
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2
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243
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December 19, 2023
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Module 'pymatgen' has no attribute 'Structure'
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3
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857
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December 18, 2023
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How to calculate the defect formation energy by pymatgen
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1
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418
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December 5, 2023
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Non-Equivalent T-Sites from a cif file
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0
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199
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December 1, 2023
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Issue with PourbaixPlotter get_pourbaix_plot().show()
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1
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251
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November 28, 2023
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Newbie question: where is the pymatgen examples page?
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0
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232
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November 21, 2023
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How are all the different energies in the PourbaixDiagram class defined?
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1
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205
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November 21, 2023
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BSPlotterProjected.get_elt_projecte_plots() method broken
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4
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306
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November 3, 2023
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Loading XRD file with .str format
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0
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267
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October 31, 2023
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CrystalNNFingerprint: No Voronoi neighbors found for site - try increasing cutoff. Should I treat as NaNs or average the OK sites?
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1
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679
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October 31, 2023
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Pourbaix Diagram for an Alloy/Solid
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10
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1141
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October 31, 2023
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GrandPotential InterfacialReactivity Method
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0
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200
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October 20, 2023
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Error module 'numpy.linalg._umath_linalg' has no attribute '_ilp64'
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0
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2082
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October 19, 2023
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Unable to replicate bulk modulus of aluminum
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6
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478
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October 18, 2023
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Question about Grand Potential Interfacial Reactivity
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8
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1500
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October 17, 2023
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Visualizing Pymatgen Trajectory object
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1
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193
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October 12, 2023
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EwaldMinimizer is very slow / doesn't return anything when used for anion-substituted structure
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0
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231
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October 12, 2023
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BSDOSplotter object returnes Axes tuple -- how to plot this
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1
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432
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October 4, 2023
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Plotting band structures
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2
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680
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October 3, 2023
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Building a Pourbaix Diagram manually: (Error) Reference solid not contained in entry list
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1
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326
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October 2, 2023
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Substitution
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3
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289
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September 28, 2023
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StructureMatcher function in pymatgen
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0
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214
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September 28, 2023
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Inconsistency in Ion Energies for C-Containing Entries in Pymatgen Pourbaix Diagrams
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3
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292
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September 26, 2023
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Wrong name of Pourbaix Entry
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4
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245
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September 25, 2023
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Pourbaix_diagram module: Energy and nPhi vs nH2O in a PourbaixEntry
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6
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966
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March 22, 2022
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Multi-alloy construction
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0
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175
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September 7, 2023
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