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Split Workflow across Multiple Workers
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4
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664
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November 11, 2021
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Breadcrumbs in computations
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1
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370
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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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478
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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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498
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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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426
|
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
|
847
|
September 10, 2021
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Does atomate/pymatgen do re-relax?
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2
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525
|
September 9, 2021
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Error for creating workflow with atomate
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0
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440
|
August 27, 2021
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Wf_dielectric_constant fails with KeyError: 'piezo_ionic_tensor' after relaxation
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7
|
628
|
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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379
|
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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345
|
June 25, 2021
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Atomate.vasp.workflows not working
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5
|
573
|
June 22, 2021
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Error running VASP in offline mode
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4
|
933
|
May 28, 2021
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Insertion Worflow optimizefw_kwargs Issue
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11
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583
|
May 28, 2021
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Ferroelectric job error
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4
|
1184
|
May 18, 2021
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Error of ferroelectric workflow generation
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4
|
841
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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
|
659
|
April 30, 2021
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Documentation Problems
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1
|
458
|
April 30, 2021
|
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Properly setting ncores for batch VASP runs
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4
|
749
|
March 25, 2021
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General Mongodb management question
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2
|
472
|
March 20, 2021
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Automating convergence testing
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3
|
679
|
March 20, 2021
|
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Plotting Raman Tensor workflow results
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0
|
303
|
March 15, 2021
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Missing Documentation on
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0
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345
|
March 11, 2021
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Check the forces after DFPTFW
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0
|
309
|
February 16, 2021
|
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Customize KPOINTs without using user_kpoints_settings (dict)
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3
|
1022
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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
|
707
|
January 15, 2021
|
|
Authentication failed for calculation on clusters
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15
|
3141
|
January 6, 2021
|
|
Best practices for completing a workflow
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1
|
538
|
December 17, 2020
|
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My Simple custom validator similar to VaspFilesValidator is not working!
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0
|
404
|
December 7, 2020
|
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How to modify parameters before rerun fws?
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0
|
452
|
November 25, 2020
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