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Rigid Coordinate Scans #16

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polikw opened this issue Jun 1, 2016 · 1 comment
Open

Rigid Coordinate Scans #16

polikw opened this issue Jun 1, 2016 · 1 comment

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@polikw
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polikw commented Jun 1, 2016

Coordinate scans are always rigid, irrespective of whether optimized or fixed is specified for the other coordinates. (Can an input file be created that fixes some internal coordinates but optimizes others? What would such an input file look like?) This might be a longer term effort rather than a quick fix, in which case we should defer it until WebMO 17. (job 11: CHOF - fixed)

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polikw commented Jun 1, 2016

This is probably the same as issue #9

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