First small bug fixes - #1
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…l number instead of less or equal
…edian for predicted shift calculation instead of mean
…ing spectral matching
fix: avoid bidirectional BOND commands in PyLSD input file; close #4
… during stereo HOSE code prediction
Add and consider bond stereo
…lly install casekit & updated README
…er class and a second buildPyLSDInputFileContentList method to Utilities class
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bug fixes in following two functions: