|
Followed "running a workflow" tutorial, but fireworks are always "waiting"
|
|
1
|
127
|
August 3, 2020
|
|
Vasp_input_set used in get_wf_elastic_constant
|
|
3
|
117
|
July 17, 2020
|
|
Db.json: Authentication failed
|
|
4
|
235
|
July 10, 2020
|
|
custodian.custodian.ValidationError in Installing atomate
|
|
9
|
395
|
June 10, 2019
|
|
ModuleNotFoundError: No module named 'atomate'
|
|
0
|
136
|
June 16, 2020
|
|
Problems of the setting for my_qadapter.yaml with torque
|
|
1
|
125
|
June 16, 2020
|
|
custodian.custodian.ValidationError during launching calculations
|
|
9
|
568
|
June 15, 2020
|
|
Problem in deleting Fireworks
|
|
1
|
164
|
May 30, 2020
|
|
Questions about atomate installation
|
|
1
|
194
|
May 18, 2020
|
|
Best practice to put the output data(e.g. total energy) of VASP in the fw_spec
|
|
2
|
212
|
May 4, 2020
|
|
Extract dielectric tensor from local DB
|
|
2
|
288
|
April 9, 2020
|
|
Unable to update custom Incar parameters using config_dict!
|
|
1
|
264
|
April 8, 2020
|
|
Feeding atomate Fireworks with structures from the fw_spec
|
|
1
|
178
|
April 8, 2020
|
|
Pymongo Connection Error? Worker Config issue?
|
|
4
|
480
|
March 29, 2020
|
|
Running high through put structure optimization jobs using fireworks and atomate
|
|
2
|
346
|
February 18, 2020
|
|
Unable to load 'default_magmoms.yaml'
|
|
2
|
227
|
February 14, 2020
|
|
Unable to connect to MongoDB via db.json
|
|
4
|
643
|
January 22, 2020
|
|
VASP: forces not parsed in Drone when NSW=0
|
|
4
|
307
|
November 25, 2019
|
|
Ferroelectric job error
|
|
3
|
331
|
November 22, 2019
|
|
how to maintain several different configs in atomate
|
|
1
|
210
|
October 7, 2019
|
|
Installing commit that isn't released yet
|
|
2
|
199
|
September 18, 2019
|
|
MagneticOrderingsWF get_wf() method leading to kwarg error
|
|
3
|
241
|
September 2, 2019
|
|
vasp_cmd array for NEB calculations?
|
|
1
|
178
|
August 22, 2019
|
|
Firs time installation: Errors while running "lpad reset"
|
|
7
|
266
|
August 22, 2019
|
|
Error running VASP in offline mode
|
|
1
|
198
|
August 6, 2019
|
|
Polarization task in database doesn't play well with pymatgen's get_total_ionic_dipole
|
|
1
|
180
|
July 5, 2019
|
|
Elastic workflow output
|
|
2
|
232
|
July 2, 2019
|
|
submit workflow for a list of directories with generated inputs
|
|
1
|
151
|
July 2, 2019
|
|
CalcDB class, when loading from file, does not load SSL configuration (Identified fix)
|
|
2
|
150
|
June 24, 2019
|
|
Can't authenticate to MongoDB with Atomate 0.8.9
|
|
3
|
262
|
June 4, 2019
|
