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About the Atomate category
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1
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808
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November 11, 2019
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Set the different `path_type` when using RelaxBandStructureMaker
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1
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9
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March 26, 2025
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Update the VASP_CMD setting dynamically
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2
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92
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January 6, 2025
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ISMEAR setting in Elastic Constant work flow
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0
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21
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November 4, 2024
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Use the atomate2 elastic workflow to reproduce the Elastic Constants given on next-gen.materialsproject.org
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1
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50
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November 3, 2024
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How to modify the custom the name and display it in mongodb
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2
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33
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September 7, 2024
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Add finished VASP calculation to database
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3
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78
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September 5, 2024
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Handling Magnetic Moments in Phonon Calculations Workflow
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1
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152
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June 27, 2024
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TypeError: VaspInput.write_input() got an unexpected keyword argument 'potcar_spec'
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1
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137
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June 23, 2024
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Using atomate and atomate2 in the Same Virtual Environment
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4
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138
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June 20, 2024
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Error when run with the example Using atomate2 with FireWorks
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0
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146
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May 8, 2024
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Si bandstructure issues
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4
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1841
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March 27, 2024
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Can we make workflow and data retrive procedure job run seperately
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2
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172
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March 15, 2024
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AttributeError: 'Poscar' object has no attribute 'get_string'
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2
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257
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February 22, 2024
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Not able to parse a calculation because vasprun.xml is not well formed
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4
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260
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February 20, 2024
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Vasp jobs error when using atomate2 and fireworks
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1
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210
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February 5, 2024
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Modify Kpoints in all FW of workflow
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1
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165
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February 2, 2024
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Tribchem: "Fixing" some issues in atomate
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0
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148
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January 31, 2024
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Error: ATOMATE2 to MongoDB connection
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7
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755
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January 9, 2024
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Atomate installation - Run a test workflow error
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3
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488
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November 15, 2023
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General question on mock VASP
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1
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320
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November 14, 2023
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MongoDB/launchpad accessible on login nodes but not compute nodes of HPC
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3
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251
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October 27, 2023
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Atomate2 pymongo.errors.OperationFailure
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2
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273
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October 16, 2023
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Compatibility of pymatgen.analysis.defects with atomate2
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0
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287
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August 23, 2023
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Document size to large for MongoDB
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1
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400
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August 9, 2023
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VasprunXMLValidator error in the middle of a workflow
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9
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786
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July 28, 2023
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MaxForceErrorHandler: Custodian version control issue
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3
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341
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July 27, 2023
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Specifying multiple pre_rocket lines in my_qadaptor.yaml
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3
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323
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June 12, 2023
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Magnetic ordering workflow:
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6
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391
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June 8, 2023
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Trying to run Atomate Workflows: Failure in queue_launcher.py in launch_rocket_to_queue
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9
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517
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May 26, 2023
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