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Fix Molpro parse_geometry: raises on every log, and returned Bohr coordinates - #969

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fix_molpro_parse_geometry
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Fix Molpro parse_geometry: raises on every log, and returned Bohr coordinates#969
calvinp0 wants to merge 1 commit into
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fix_molpro_parse_geometry

Fix Molpro parse_geometry: iterate a list, and convert Bohr to Angstrom

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