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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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181
|
May 4, 2020
|
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Extract dielectric tensor from local DB
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2
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252
|
April 9, 2020
|
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Unable to update custom Incar parameters using config_dict!
|
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1
|
206
|
April 8, 2020
|
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Feeding atomate Fireworks with structures from the fw_spec
|
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1
|
149
|
April 8, 2020
|
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Pymongo Connection Error? Worker Config issue?
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4
|
368
|
March 29, 2020
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Running high through put structure optimization jobs using fireworks and atomate
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2
|
304
|
February 18, 2020
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Unable to load 'default_magmoms.yaml'
|
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2
|
196
|
February 14, 2020
|
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Unable to connect to MongoDB via db.json
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4
|
542
|
January 22, 2020
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VASP: forces not parsed in Drone when NSW=0
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4
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259
|
November 25, 2019
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Ferroelectric job error
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3
|
270
|
November 22, 2019
|
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how to maintain several different configs in atomate
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1
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181
|
October 7, 2019
|
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Installing commit that isn't released yet
|
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2
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171
|
September 18, 2019
|
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MagneticOrderingsWF get_wf() method leading to kwarg error
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3
|
207
|
September 2, 2019
|
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vasp_cmd array for NEB calculations?
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1
|
147
|
August 22, 2019
|
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Firs time installation: Errors while running "lpad reset"
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7
|
209
|
August 22, 2019
|
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Error running VASP in offline mode
|
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1
|
151
|
August 6, 2019
|
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Polarization task in database doesn't play well with pymatgen's get_total_ionic_dipole
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1
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156
|
July 5, 2019
|
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Elastic workflow output
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2
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195
|
July 2, 2019
|
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submit workflow for a list of directories with generated inputs
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1
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127
|
July 2, 2019
|
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CalcDB class, when loading from file, does not load SSL configuration (Identified fix)
|
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2
|
128
|
June 24, 2019
|
|
Can't authenticate to MongoDB with Atomate 0.8.9
|
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3
|
210
|
June 4, 2019
|
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Data query in MgO band structure tutorial
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2
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180
|
May 10, 2019
|
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Extract Fireworks Workflow from Atomate to VASP files without actually adding it to the launchpad.
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2
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212
|
May 10, 2019
|
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Ferroelectric workflow job gets fizzled after static calculation
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3
|
182
|
April 25, 2019
|
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workflow added but no vasp calculation is performed
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3
|
173
|
April 10, 2019
|
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ValueError in all_stored_data.update
|
|
6
|
144
|
March 25, 2019
|
|
Error while running Bandstructure Workflow
|
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1
|
153
|
March 6, 2019
|
|
Walltime Error Before Walltime reached?
|
|
1
|
212
|
March 4, 2019
|
|
Error in running atomate in offline Mode?
|
|
3
|
126
|
February 8, 2019
|
|
atomate 0.7.8+ throws json error with structure optimization
|
|
4
|
140
|
December 14, 2018
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