|
Unable to connect to MongoDB via db.json
|
|
5
|
449
|
January 22, 2020
|
|
VASP: forces not parsed in Drone when NSW=0
|
|
5
|
208
|
November 25, 2019
|
|
Ferroelectric job error
|
|
4
|
218
|
November 22, 2019
|
|
how to maintain several different configs in atomate
|
|
2
|
160
|
October 7, 2019
|
|
Installing commit that isn't released yet
|
|
3
|
146
|
September 18, 2019
|
|
MagneticOrderingsWF get_wf() method leading to kwarg error
|
|
4
|
166
|
September 2, 2019
|
|
vasp_cmd array for NEB calculations?
|
|
2
|
124
|
August 22, 2019
|
|
Firs time installation: Errors while running "lpad reset"
|
|
8
|
165
|
August 22, 2019
|
|
Authentication failed for calculation on clusters
|
|
15
|
797
|
August 6, 2019
|
|
Error running VASP in offline mode
|
|
2
|
123
|
August 6, 2019
|
|
Polarization task in database doesn't play well with pymatgen's get_total_ionic_dipole
|
|
2
|
133
|
July 5, 2019
|
|
Elastic workflow output
|
|
3
|
138
|
July 2, 2019
|
|
submit workflow for a list of directories with generated inputs
|
|
2
|
107
|
July 2, 2019
|
|
CalcDB class, when loading from file, does not load SSL configuration (Identified fix)
|
|
3
|
106
|
June 24, 2019
|
|
Can't authenticate to MongoDB with Atomate 0.8.9
|
|
4
|
167
|
June 4, 2019
|
|
Data query in MgO band structure tutorial
|
|
3
|
147
|
May 10, 2019
|
|
Extract Fireworks Workflow from Atomate to VASP files without actually adding it to the launchpad.
|
|
3
|
158
|
May 10, 2019
|
|
Ferroelectric workflow job gets fizzled after static calculation
|
|
4
|
130
|
April 25, 2019
|
|
workflow added but no vasp calculation is performed
|
|
4
|
134
|
April 10, 2019
|
|
ValueError in all_stored_data.update
|
|
7
|
113
|
March 25, 2019
|
|
Error while running Bandstructure Workflow
|
|
2
|
115
|
March 6, 2019
|
|
Walltime Error Before Walltime reached?
|
|
2
|
162
|
March 4, 2019
|
|
Error in running atomate in offline Mode?
|
|
4
|
116
|
February 8, 2019
|
|
atomate 0.7.8+ throws json error with structure optimization
|
|
5
|
121
|
December 14, 2018
|
|
Changing Default VASP Settings in Adsorption Workflows
|
|
3
|
115
|
December 14, 2018
|
|
Parsing more information from "calcs_reversed" to output in task
|
|
2
|
105
|
December 7, 2018
|
|
Improving Double Relaxation Run?
|
|
4
|
141
|
November 29, 2018
|
|
timing to reset the lpad
|
|
5
|
72
|
November 21, 2018
|
|
Error running wf_piezoelectric_constant due to changes in Pymatgen
|
|
7
|
110
|
November 21, 2018
|
|
Question about Builder
|
|
3
|
94
|
November 19, 2018
|
