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Is your feature request related to a problem? Please describe
It seems to me that since 3a36afb by @sphuber , all CalcJob classes now display a new input: the remote_folder.
Example:
$ verdi plugin list aiida.calculations nwchem.nwchem
Description:
Base calculation class for NWChem.
Synthesizes NWChem input file from parameter dictionary and StructureData.
Inputs:
parameters: required Dict Input parameters
structure: required StructureData The input structure, with or without a cell
add_cell: optional Bool The input structure, with or without a cell
code: optional AbstractCode The `Code` to use for this job. This input is required, unless the `remote_ ...
metadata: optional
remote_folder: optional RemoteData Remote directory containing the results of an already completed calculation ...
restart_folder: optional RemoteData, FolderData Remote directory of a completed NWChem calculation to restart from.
Here, the remote_folder is defined by aiida-core, while the restart_folder is defined by the plugin.
Describe the solution you'd like
I think this new input should be explained more extensively in both the documentation for users and the one for plugin developers.
I tried using this input to do restarts and got somewhat confusing results.
The text was updated successfully, but these errors were encountered:
That input is meant for importing calculations that have been completed without AiiDA. See AEP 004 https://github.com/aiidateam/AEP/blob/master/004_calcjob_importer/readme.md I didn't have the time to document at the point of merging and lost track of it since but you are right I should still document this. Coincidentally I was just working this wee on the implementation for PwCalculation. Once I finish that I will document the functionality in aiida-core
Is your feature request related to a problem? Please describe
It seems to me that since 3a36afb by @sphuber , all
CalcJob
classes now display a new input: theremote_folder
.Example:
Here, the
remote_folder
is defined by aiida-core, while therestart_folder
is defined by the plugin.Describe the solution you'd like
I think this new input should be explained more extensively in both the documentation for users and the one for plugin developers.
I tried using this input to do restarts and got somewhat confusing results.
The text was updated successfully, but these errors were encountered: