Popular repositories Loading

1. dftbplus dftbplus Public

   Forked from awvwgk/dftbplus

   DFTB+ general package for performing fast atomistic simulations

   Fortran

2. tblite tblite Public

   Forked from tblite/tblite

   Light-weight tight-binding framework

   Fortran 1

3. ORCAbasissets ORCAbasissets Public

   Forked from marcelmbn/ORCAbasissets

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

   Python

4. mstore mstore Public

   Forked from grimme-lab/mstore

   Molecular structure store for testing

   Fortran

5. libcint libcint Public

   Forked from sunqm/libcint

   general GTO integrals for quantum chemistry

   C

6. dftd4 dftd4 Public

   Forked from dftd4/dftd4

   Generally Applicable Atomic-Charge Dependent London Dispersion Correction

   Fortran