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Add more precision to the standard XMLs #490

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bc118 opened this issue Dec 21, 2021 · 0 comments
Open

Add more precision to the standard XMLs #490

bc118 opened this issue Dec 21, 2021 · 0 comments

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@bc118
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bc118 commented Dec 21, 2021

This is not urgent or a priority, more of a note. This is important for precision when converting units and rounding in the different writer outputs.

Add more digit precision to the input units in the foyer XMLs (oplsaa and trappe-ua). The values are slightly off when rounding and converting units, most notably in the angle angles (in degrees). For example, 109.4699 should be 109.47

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