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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
The text was updated successfully, but these errors were encountered:
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
The text was updated successfully, but these errors were encountered: