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Exactly reproduce VASP parameters and total energy
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1
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585
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December 6, 2021
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Fireworkers continue running even when no ready FWs exist in database
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2
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407
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December 3, 2021
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Split Workflow across Multiple Workers
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4
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345
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November 11, 2021
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Breadcrumbs in computations
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1
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201
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November 6, 2021
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Is there any way to run singleshot on a specific task?
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2
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256
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October 13, 2021
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Option to copy CHGCAR or WAVECAR from prev_calc_loc or prev_calc_dir in StaticFW
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2
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237
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September 22, 2021
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Make a lammps data file including: Atoms position, bonds, angles, dihedrals
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0
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238
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September 13, 2021
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How to parse the AFM structure and save structure treating the site with different magnetic moment as if different elements
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5
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337
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September 10, 2021
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Does atomate/pymatgen do re-relax?
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2
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271
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September 9, 2021
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Error for creating workflow with atomate
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0
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272
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August 27, 2021
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Wf_dielectric_constant fails with KeyError: 'piezo_ionic_tensor' after relaxation
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7
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331
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August 23, 2021
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How to write a parameters to YAML file denpends on workflow
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0
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202
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July 7, 2021
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What is the difference between the "default" and "strict" sets of Custodian error handlers?
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1
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205
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June 25, 2021
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Atomate.vasp.workflows not working
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5
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349
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June 22, 2021
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Error running VASP in offline mode
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4
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611
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May 28, 2021
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Insertion Worflow optimizefw_kwargs Issue
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11
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357
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May 28, 2021
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Ferroelectric job error
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4
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840
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May 18, 2021
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Error of ferroelectric workflow generation
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4
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572
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May 18, 2021
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Bug: Import statements from Pymatgen are outdated w/ newest version
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6
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431
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April 30, 2021
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Documentation Problems
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1
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292
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April 30, 2021
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Properly setting ncores for batch VASP runs
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4
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319
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March 25, 2021
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General Mongodb management question
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2
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297
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March 20, 2021
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Automating convergence testing
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3
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474
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March 20, 2021
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Plotting Raman Tensor workflow results
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0
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200
|
March 15, 2021
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Missing Documentation on
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0
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209
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March 11, 2021
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Check the forces after DFPTFW
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0
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199
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February 16, 2021
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Customize KPOINTs without using user_kpoints_settings (dict)
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3
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525
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February 3, 2021
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Error running wf_raman_spectra due to modifying incar
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10
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461
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January 15, 2021
|
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Authentication failed for calculation on clusters
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15
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2585
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January 6, 2021
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Best practices for completing a workflow
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1
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366
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December 17, 2020
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