Fixes a bug that occurs when calculating an hessian specific builds #774
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build (see #772). Signed-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>
This was referenced Feb 23, 2023
Albkat
approved these changes
Feb 23, 2023
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One of our dependencies (mctc-lib) handles the logic of the allocation of PBC a little bit different than we did. This lead to errors with a specific version of the gfortran compiler when explicitly copying the molecular type, that was done as a compatibility fix for ifort in #752.
Handling the PBC logical explicitly for different sized logical arrays should fix this. This will close #772.