use nowf for delta calculations

aiidateam / aiida-sssp-workflow

sssp verification workflows

MIT License

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use nowf for delta calculations #188

Closed unkcpz closed 1 year ago

unkcpz commented 1 year ago

aiida-quantumespresso did not recognize this parametere in schema.

[x] clean the remote folder if it is not used for further calculations, it is happened with the disk_io=nowf

unkcpz commented 1 year ago

blocked until the aiida-quantumespresso released with the schema update, this PR rerquires bump the aiida-qe version.

unkcpz commented 1 year ago

Be careful that in the new version of aiida-quantumespresso, the PH parser will rename dynamic_matrix_0 to dynamic_matrix_1, which will break the ph workflow here. Remember to update after the new version and plugin adapt.