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1. multicharge multicharge Public

   Forked from grimme-lab/multicharge

   Electronegativity equilibration model for atomic partial charges

   Fortran 2 2

2. xtb xtb Public

   Forked from grimme-lab/xtb

   Semiempirical Extended Tight-Binding Program Package

   Fortran 1

3. dftbplus dftbplus Public

   Forked from awvwgk/dftbplus

   DFTB+ general package for performing fast atomistic simulations

   Fortran

4. tblite tblite Public

   Forked from tblite/tblite

   Light-weight tight-binding framework

   Fortran 1

5. ORCAbasissets ORCAbasissets Public

   Forked from marcelmbn/ORCAbasissets

   Reads a basis set in the typical ORCA format und prints it in another format.

   Python

6. mstore mstore Public

   Forked from grimme-lab/mstore

   Molecular structure store for testing

   Fortran