|
vasp_cmd array for NEB calculations?
|
|
2
|
99
|
August 22, 2019
|
|
Firs time installation: Errors while running "lpad reset"
|
|
8
|
111
|
August 22, 2019
|
|
Authentication failed for calculation on clusters
|
|
15
|
676
|
August 6, 2019
|
|
Error running VASP in offline mode
|
|
2
|
97
|
August 6, 2019
|
|
Polarization task in database doesn't play well with pymatgen's get_total_ionic_dipole
|
|
2
|
99
|
July 5, 2019
|
|
Elastic workflow output
|
|
3
|
108
|
July 2, 2019
|
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submit workflow for a list of directories with generated inputs
|
|
2
|
82
|
July 2, 2019
|
|
CalcDB class, when loading from file, does not load SSL configuration (Identified fix)
|
|
3
|
72
|
June 24, 2019
|
|
Can't authenticate to MongoDB with Atomate 0.8.9
|
|
4
|
146
|
June 4, 2019
|
|
Data query in MgO band structure tutorial
|
|
3
|
106
|
May 10, 2019
|
|
Extract Fireworks Workflow from Atomate to VASP files without actually adding it to the launchpad.
|
|
3
|
112
|
May 10, 2019
|
|
Ferroelectric workflow job gets fizzled after static calculation
|
|
4
|
102
|
April 25, 2019
|
|
workflow added but no vasp calculation is performed
|
|
4
|
103
|
April 10, 2019
|
|
ValueError in all_stored_data.update
|
|
7
|
84
|
March 25, 2019
|
|
Error while running Bandstructure Workflow
|
|
2
|
83
|
March 6, 2019
|
|
Walltime Error Before Walltime reached?
|
|
2
|
115
|
March 4, 2019
|
|
Error in running atomate in offline Mode?
|
|
4
|
88
|
February 8, 2019
|
|
atomate 0.7.8+ throws json error with structure optimization
|
|
5
|
86
|
December 14, 2018
|
|
Changing Default VASP Settings in Adsorption Workflows
|
|
3
|
95
|
December 14, 2018
|
|
Parsing more information from "calcs_reversed" to output in task
|
|
2
|
74
|
December 7, 2018
|
|
Improving Double Relaxation Run?
|
|
4
|
102
|
November 29, 2018
|
|
timing to reset the lpad
|
|
5
|
48
|
November 21, 2018
|
|
Error running wf_piezoelectric_constant due to changes in Pymatgen
|
|
7
|
71
|
November 21, 2018
|
|
Question about Builder
|
|
3
|
68
|
November 19, 2018
|
|
Exporting elastic data from MongoDB to .json
|
|
4
|
57
|
November 14, 2018
|
|
How to add tags to uploaded vasp results in database
|
|
9
|
82
|
November 7, 2018
|
|
Question about tasks_materials_settings.yaml
|
|
4
|
50
|
November 5, 2018
|
|
Error running MgO tutorial for atomate
|
|
6
|
100
|
November 2, 2018
|
|
SQS or Cluster Expansion Workflows
|
|
5
|
101
|
September 28, 2018
|
|
A probelm in atomate test workflow
|
|
3
|
65
|
August 27, 2018
|
