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About the Atomate category
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1
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171
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November 11, 2019
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How to modify parameters before rerun fws?
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0
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44
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November 25, 2020
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Band structure workflow
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2
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47
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November 13, 2020
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MagneticOrderingsWF gives RuntimeError with `scan=True`
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11
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254
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November 11, 2020
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Error of ferroelectric workflow generation
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3
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121
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October 23, 2020
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Creating new workflow with vdw
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5
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112
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October 23, 2020
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My Validator that checks existence of a file was unable to get recognized by atomate!
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0
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44
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October 22, 2020
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Large chunk files in MongoDB database
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2
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56
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October 16, 2020
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Slab relaxation and MongoDB output missing
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5
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289
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October 6, 2020
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Errors in get_wf_bulk_modulus
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2
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123
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October 5, 2020
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Error running MgO tutorial for atomate
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2
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70
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October 3, 2020
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MaxForceErrorHandler?
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1
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109
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October 1, 2020
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Get_wf_neb_from_structure workflow produces run_dest_root KeyError
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0
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41
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September 10, 2020
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Best way to strain crystal and calculate dielectric tensor
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1
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81
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August 31, 2020
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Firework Fizzles, although VASP Run Completes
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3
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173
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August 28, 2020
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Problems about running calculations with Slurm
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2
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125
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August 6, 2020
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Insert vasprun.xml with VaspToDb Task
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2
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112
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August 6, 2020
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Followed "running a workflow" tutorial, but fireworks are always "waiting"
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1
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88
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August 3, 2020
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Vasp_input_set used in get_wf_elastic_constant
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3
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80
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July 17, 2020
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Db.json: Authentication failed
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4
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166
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July 10, 2020
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custodian.custodian.ValidationError in Installing atomate
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9
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269
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June 10, 2019
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ModuleNotFoundError: No module named 'atomate'
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0
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98
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June 16, 2020
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Problems of the setting for my_qadapter.yaml with torque
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1
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90
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June 16, 2020
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custodian.custodian.ValidationError during launching calculations
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9
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384
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June 15, 2020
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Problem in deleting Fireworks
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1
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120
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May 30, 2020
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Questions about atomate installation
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1
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129
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May 18, 2020
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Best practice to put the output data(e.g. total energy) of VASP in the fw_spec
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2
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162
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May 4, 2020
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Extract dielectric tensor from local DB
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2
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233
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April 9, 2020
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Unable to update custom Incar parameters using config_dict!
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1
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184
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April 8, 2020
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Feeding atomate Fireworks with structures from the fw_spec
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1
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130
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April 8, 2020
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