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Partial fix #730: mixed types for basisSetFile #731

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merged 1 commit into from
Apr 24, 2024

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alexcraven
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Partial fix for #730

osp_fitInitialise variously mixes char and cell array data types for MRSCont.opts.fit.basisSetFile, causing it to fail when using a basis set is supplied in .BASIS format.

This partial fix converts basisSetFile to a cell if necessary, but may not fully address the issue for edited scenarios.

Partial fix for schorschinho#730

osp_fitInitialise variously mixes char and cell array data types for MRSCont.opts.fit.basisSetFile, causing it to fail when using a basis set is supplied in .BASIS format:
@HJZollner HJZollner merged commit dd287a1 into schorschinho:develop Apr 24, 2024
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