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About the Atomate category
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2
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114
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November 11, 2019
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Problems about running calculations with Slurm
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2
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35
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August 4, 2020
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Insert vasprun.xml with VaspToDb Task
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2
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26
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August 4, 2020
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Followed "running a workflow" tutorial, but fireworks are always "waiting"
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2
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18
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August 3, 2020
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MagneticOrderingsWF gives RuntimeError with `scan=True`
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10
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146
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July 22, 2020
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Vasp_input_set used in get_wf_elastic_constant
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4
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28
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July 17, 2020
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Db.json: Authentication failed
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5
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99
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July 10, 2020
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custodian.custodian.ValidationError in Installing atomate
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11
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171
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June 21, 2020
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ModuleNotFoundError: No module named 'atomate'
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1
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48
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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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2
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46
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June 16, 2020
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custodian.custodian.ValidationError during launching calculations
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10
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232
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June 15, 2020
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MaxForceErrorHandler?
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1
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43
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June 10, 2020
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Errors in get_wf_bulk_modulus
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1
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51
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June 4, 2020
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Problem in deleting Fireworks
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2
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70
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May 30, 2020
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Questions about atomate installation
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2
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61
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May 18, 2020
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Firework Fizzles, although VASP Run Completes
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1
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81
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May 4, 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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3
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101
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May 4, 2020
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Slab relaxation and MongoDB output missing
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3
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107
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April 23, 2020
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Extract dielectric tensor from local DB
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3
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168
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April 9, 2020
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Unable to update custom Incar parameters using config_dict!
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2
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116
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April 8, 2020
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Feeding atomate Fireworks with structures from the fw_spec
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2
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75
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April 8, 2020
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Pymongo Connection Error? Worker Config issue?
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5
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182
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March 29, 2020
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Running high through put structure optimization jobs using fireworks and atomate
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3
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195
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February 18, 2020
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Unable to load 'default_magmoms.yaml'
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3
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128
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February 14, 2020
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Unable to connect to MongoDB via db.json
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5
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333
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January 22, 2020
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VASP: forces not parsed in Drone when NSW=0
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5
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140
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November 25, 2019
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Ferroelectric job error
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4
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157
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November 22, 2019
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how to maintain several different configs in atomate
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2
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120
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October 7, 2019
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Installing commit that isn't released yet
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3
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102
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September 18, 2019
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MagneticOrderingsWF get_wf() method leading to kwarg error
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4
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119
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September 2, 2019
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