Quantum-Dynamics-Hub/libra-code: Libra with the QTAG method

The major changes/additions include:

• added and validated the quantum trajectory adaptable Gaussian (QTAG) methodology, including scripts and functions at both C++ and Python levels;

Other significant changes:

• added new functions in the GWP library, needed for more convenient implementation of the QTAG;
• implemented Meek-Levine's norm-preserving interpolation (NPI) algorithms to compute scalar NACs;
• added new functions to the wfcgrid2 class - e.g. for finding the hyperplanes, adding complex absorbing potential, and more;
• removed many tutorials/examples that have been moved to the Tutorials_Libra repository;
• changes to the auxiliary functions for the TD-DFT excitation analysis, to reflect changes in cp2k software v9.1;
• updated build instructions (cmake files) to correctly compile/build the code with the new libint2 library;
• important bug fix of the NAC calculation workflow in the case of spin-polarized DFT calculations;
• added new functions for computing the time-overlaps with ORCA and OpenMolcas;