Comments (2)
The oneeloxidation
algorithm is no more supported in the library. Does this apply to any other situation? Otherwise, we can close the issue given that unit tests have been partially implemented in version 0.3.0-alpha
from ges-comp-echem.
No, the algorithms
section was removed from the library and is now part of a separate (private) repository, which will have its own tests and stuff. GES-comp-echem does not need to keep support for the algorithms, it's the algorithms repo which needs to be kept up to date with compechem.
from ges-comp-echem.
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