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About the Atomate category
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1
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799
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November 11, 2019
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Update the VASP_CMD setting dynamically
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2
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73
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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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16
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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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33
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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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28
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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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45
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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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137
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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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135
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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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134
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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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141
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May 8, 2024
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Si bandstructure issues
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4
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1707
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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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169
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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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210
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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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203
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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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159
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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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147
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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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725
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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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475
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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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314
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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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247
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October 27, 2023
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Atomate2 pymongo.errors.OperationFailure
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2
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268
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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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286
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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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393
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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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757
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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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339
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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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375
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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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500
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May 26, 2023
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I need help using atomate2 on a remote cluster
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0
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507
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March 31, 2023
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