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qmmm_tb_coulomb.F File Reference

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Modules

module  qmmm_tb_coulomb
 Calculation of QMMM Coulomb contributions in TB.
 

Functions/Subroutines

subroutine, public qmmm_tb_coulomb::build_tb_coulomb_qmqm (qs_env, ks_matrix, rho, mcharge, energy, calculate_forces, just_energy)
 ...