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Integration of tblite library #514

@awvwgk

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@awvwgk

This is a tracking issue to integrate the tblite library with xtb.

To get the PBC support in xtb finally in a usable state we have to integrate the tblite library which started as a spin off to support the xTB methods in DFTB+.

This will enable:

  • customizable and programmatically accessible parameter files (breaking change in the parameter format, again)
  • periodic boundary condition support for GFN1-xTB and GFN2-xTB

Things to take care of first:

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    library: tbliteRelated to the tblite library dependency

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