|
About the Atomate category
|
|
1
|
741
|
November 11, 2019
|
|
Error when run with the example Using atomate2 with FireWorks
|
|
0
|
35
|
May 8, 2024
|
|
Si bandstructure issues
|
|
4
|
1268
|
March 27, 2024
|
|
Can we make workflow and data retrive procedure job run seperately
|
|
2
|
105
|
March 15, 2024
|
|
AttributeError: 'Poscar' object has no attribute 'get_string'
|
|
2
|
139
|
February 22, 2024
|
|
Not able to parse a calculation because vasprun.xml is not well formed
|
|
4
|
88
|
February 20, 2024
|
|
Vasp jobs error when using atomate2 and fireworks
|
|
1
|
115
|
February 5, 2024
|
|
Modify Kpoints in all FW of workflow
|
|
1
|
92
|
February 2, 2024
|
|
Tribchem: "Fixing" some issues in atomate
|
|
0
|
84
|
January 31, 2024
|
|
Error: ATOMATE2 to MongoDB connection
|
|
7
|
562
|
January 9, 2024
|
|
Atomate installation - Run a test workflow error
|
|
3
|
330
|
November 15, 2023
|
|
General question on mock VASP
|
|
1
|
237
|
November 14, 2023
|
|
MongoDB/launchpad accessible on login nodes but not compute nodes of HPC
|
|
3
|
188
|
October 27, 2023
|
|
Atomate2 pymongo.errors.OperationFailure
|
|
2
|
213
|
October 16, 2023
|
|
Compatibility of pymatgen.analysis.defects with atomate2
|
|
0
|
231
|
August 23, 2023
|
|
Document size to large for MongoDB
|
|
1
|
318
|
August 9, 2023
|
|
VasprunXMLValidator error in the middle of a workflow
|
|
9
|
518
|
July 28, 2023
|
|
MaxForceErrorHandler: Custodian version control issue
|
|
3
|
291
|
July 27, 2023
|
|
Specifying multiple pre_rocket lines in my_qadaptor.yaml
|
|
3
|
255
|
June 12, 2023
|
|
Magnetic ordering workflow:
|
|
6
|
266
|
June 8, 2023
|
|
Trying to run Atomate Workflows: Failure in queue_launcher.py in launch_rocket_to_queue
|
|
9
|
388
|
May 26, 2023
|
|
I need help using atomate2 on a remote cluster
|
|
0
|
385
|
March 31, 2023
|
|
Insert material project material id into final job/flow output in Atomate2
|
|
1
|
425
|
March 28, 2023
|
|
Failed to execute the example run
|
|
10
|
575
|
March 17, 2023
|
|
Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
|
|
0
|
352
|
February 3, 2023
|
|
[Atomate2] How to decode a TaskDocument from queried dictionaries?
|
|
3
|
465
|
January 28, 2023
|
|
Strange qlaunch behavior: one workflow but multiple queue jobs
|
|
2
|
446
|
January 14, 2023
|
|
How to run individual atomate analysis test starting from provided json
|
|
0
|
271
|
December 21, 2022
|
|
Possible rework for object storage in addtional stores
|
|
0
|
439
|
November 28, 2022
|
|
Proper usage of "name" field
|
|
4
|
431
|
November 28, 2022
|