pass AutoparaInfo settings to remote jobs

libAtoms / workflow

python workflow toolkit

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pass AutoparaInfo settings to remote jobs #250

Closed bernstei closed 1 year ago

bernstei commented 1 year ago

Refactor RemoteInfo and AutoparaInfo related code so that all AutoparaInfo settings are applied to remote job, in particular num_python_subprocesses

Closes #216

gelzinyte commented 1 year ago

This all looks good and the example in issue #216 works as I would have expected.

bernstei commented 1 year ago

OK. Should we merge now, to be consistent with the paper, or should we wait until we do a pass on all the PRs?

gelzinyte commented 1 year ago

No reason to wait?