Searched defs:qmmm_energy (Results 1 – 4 of 4) sorted by relevance
1123 function qmmm_energy(rtdb) function
154 SUBROUTINE qmmm_calculate_energy(qs_env, rho, v_qmmm, qmmm_energy) argument158 REAL(KIND=dp), INTENT(INOUT) :: qmmm_energy local
1123 function qmmm_energy(rtdb) function1136 logical qmmm_energy local