Calculation of the Hamiltonian integral and Overlap matrices and for SCP-TB methods

source: scptb_core_matrix.FLoading...

Builds the SCPTB core Hamiltonian matrix and its derivatives

Builds the SCPTB core Hamiltonian matrix and its derivatives

TYPE(qs_environment_type), |
POINTER |
:: | qs_env | The QS environment | |

LOGICAL, |
INTENT(in) |
:: | calculate_forces | Flag to toggle force calculation |