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Commit fa04aed7 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
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parse energy contributions. Ability to generate metadata json for energy...

parse energy contributions.  Ability to generate metadata json for energy contributions.  Take care of tricky case where geometry is specified by spacegroup first, and later Cartesianly.  Be more robust in terms of whether GULP writes Cartesian or cartesian.  Parse main GULP calculation modes as specified in input.
parent d3a48ca8
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