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Allow tblite parameter file read-in #303

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merged 2 commits into from
May 6, 2024
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@pprcht pprcht commented May 6, 2024

Parameter files must be in toml format. Examples are located at assets/tblite/
This is an update to #223

The parameter file can be specified within the [[calculation.level]] block:

[[calculation.level]]
method='tblite'
tblite_param='gfn1.toml'

which formally replaces any other tblite method selection.

@pprcht pprcht merged commit 1782d7d into crest-lab:master May 6, 2024
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