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Parsing fixes for ORCA xTB (Fixes #43) - #44

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avcopan wants to merge 2 commits into
atomsforhumanity:masterfrom
avcopan:drop-natoms-fixed
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Parsing fixes for ORCA xTB (Fixes #43)#44
avcopan wants to merge 2 commits into
atomsforhumanity:masterfrom
avcopan:drop-natoms-fixed

Update tests after dropping ORCA natoms parser

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