AO tool and environment

Sarai Dery Folkestadrequested to merge
SaraiDF/eT:environment_hierarchy into development

Major changes:

  • Molecular system is deleted
  • An AO tool is added that handles the basis set and all communication with Libint
  • Task previously performed by wavefunction_class (integral construction routines) are now performed by the AO tool
  • The MM and PCM code is restructured in a hierarchy of embedding classes
  • References/tests for specific embedding type is removed from HF

Minor changes:

  • wf%n_ao is now wf%ao%n. This accounts from most changes not in wavefunction, HF, AO tool, and the PCM/MM handling.
Edited by Sarai Dery Folkestad

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