|
NEB implementation in Aiida WOrkgraph for QE
|
|
3
|
116
|
February 3, 2025
|
|
XAS tab not shown
|
|
11
|
260
|
January 16, 2025
|
|
How to set `default-memory-per-machine`
|
|
1
|
140
|
December 27, 2024
|
|
The seekpath code automatically standardized the primitive cell, which caused the structure to change and the expected energy band path could not be obtained
|
|
3
|
183
|
December 20, 2024
|
|
How to use a non-dynamic `input_namespace`
|
|
4
|
174
|
December 6, 2024
|
|
AiiDA Workgraph: WebUI when AiiDA is deployed on cloud
|
|
7
|
178
|
December 4, 2024
|
|
Caching behaviour on imported archives
|
|
3
|
155
|
December 3, 2024
|
|
What does "contains" actually mean in the QueryBuilder?
|
|
4
|
250
|
November 26, 2024
|
|
Aiida-workgraph: Using while task to loop DFT calculations
|
|
19
|
421
|
November 19, 2024
|
|
QE magnetic configurations initial/final
|
|
3
|
143
|
November 7, 2024
|
|
On the dynamic change of workchain process class inputs
|
|
2
|
80
|
November 4, 2024
|
|
Modifying pseudopotential group after it is created from archive
|
|
1
|
121
|
October 28, 2024
|
|
How to configure computer with two ProxyJump
|
|
1
|
92
|
October 23, 2024
|
|
Seeking Advice on Using Workflows as a Beginner
|
|
1
|
127
|
October 17, 2024
|
|
CalcJob in `QUEUED` status even the actual job on HPC is finished
|
|
2
|
131
|
October 15, 2024
|
|
Aiida-siesta with the memory
|
|
14
|
367
|
October 14, 2024
|
|
Do glob patterns work for remote copy lists?
|
|
4
|
92
|
October 10, 2024
|
|
How to debug `engine.submit` processes?
|
|
2
|
112
|
October 4, 2024
|
|
`WorkChain` continues before finishing the pervious step
|
|
1
|
106
|
October 4, 2024
|
|
Code Prepend Text
|
|
4
|
126
|
September 27, 2024
|
|
`verdi code test` failed for new `uenv` system in CSCS
|
|
4
|
138
|
September 25, 2024
|
|
`verdi archive import` fails when importing large dataset to a profile with `sqlite_dos` backend
|
|
17
|
516
|
September 22, 2024
|
|
Excepted workchains, due to strange error from kiwipy/plumpy?
|
|
33
|
976
|
September 18, 2024
|
|
Set "use_double_quotes"=True in ShellJob
|
|
3
|
137
|
September 18, 2024
|
|
Calculations get stuck in "created" state
|
|
6
|
269
|
September 17, 2024
|
|
Querying for Nodes Not in Any Group
|
|
2
|
110
|
September 16, 2024
|
|
Pass curly braces literarily in aiida-shell arguments
|
|
3
|
119
|
September 5, 2024
|
|
Aiida-workgraph: How to handle dynamic inputs and outputs of tasks
|
|
10
|
354
|
August 30, 2024
|
|
Querying from attributes
|
|
3
|
135
|
August 22, 2024
|
|
Entry point of a parser is not found but it appears in verdi plugin list
|
|
2
|
98
|
August 20, 2024
|