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Remove most of qml7 xyz files #63

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larsbratholm opened this issue Jul 26, 2018 · 1 comment
Open

Remove most of qml7 xyz files #63

larsbratholm opened this issue Jul 26, 2018 · 1 comment
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non-critical Compiler warnings, code formatting, etc. QOL Quality-of-Life

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There is no reason to have more than a few. If many is needed for a test we can include a pickle with coordinates / nuclear charges
@larsbratholm larsbratholm added non-critical Compiler warnings, code formatting, etc. QOL Quality-of-Life labels Jul 26, 2018
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andersx commented Jul 26, 2018

I agree. There are separate tests for the xyz parsing, so would not interfere with anything. Could use ASE or a datacontainer class

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