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About the Atomate category
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2
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142
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November 11, 2019
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custodian.custodian.ValidationError in Installing atomate
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11
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223
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June 21, 2020
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Error of ferroelectric workflow generation
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1
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23
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September 23, 2020
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Error running MgO tutorial for atomate
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1
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17
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September 23, 2020
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Slab relaxation and MongoDB output missing
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5
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188
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September 14, 2020
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Get_wf_neb_from_structure workflow produces run_dest_root KeyError
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1
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21
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September 10, 2020
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Creating new workflow with vdw
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2
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49
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September 1, 2020
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Best way to strain crystal and calculate dielectric tensor
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2
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53
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August 31, 2020
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Firework Fizzles, although VASP Run Completes
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4
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135
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August 28, 2020
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Problems about running calculations with Slurm
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3
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86
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August 6, 2020
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Insert vasprun.xml with VaspToDb Task
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3
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73
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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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2
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58
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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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190
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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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49
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July 17, 2020
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Db.json: Authentication failed
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5
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132
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July 10, 2020
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ModuleNotFoundError: No module named 'atomate'
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1
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68
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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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61
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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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283
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June 15, 2020
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MaxForceErrorHandler?
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1
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61
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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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74
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June 4, 2020
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Problem in deleting Fireworks
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2
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93
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May 30, 2020
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Questions about atomate installation
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2
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93
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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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3
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132
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May 4, 2020
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Extract dielectric tensor from local DB
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3
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198
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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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146
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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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99
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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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239
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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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239
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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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161
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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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395
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January 22, 2020
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