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Fix quaternion default initialisation #300
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879cbf3
Change default initialization for Quaternions to 0 + 0i + 0j + 0k
cniethammer 32d6e83
Align names of parameters in Molecule constructors with Quaternion pa…
cniethammer 4fe755b
Fix initialization of molecule orientation in internal generator code
cniethammer 561259f
Add cubic_gird_generator example to test configuration list
cniethammer be75df9
Change Molecule constructor to require passing all parameters
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Out of interest: Is the whole object returned or just a pointer?
If former, isn't this quite bad since a Molecule object is rather big?