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Searched defs:qmmm_energy (Results 1 – 4 of 4) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/qmmm/
H A Dtask_qmmm_energy.F1123 function qmmm_energy(rtdb) function
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_ks_qmmm_methods.F154 SUBROUTINE qmmm_calculate_energy(qs_env, rho, v_qmmm, qmmm_energy) argument
158 REAL(KIND=dp), INTENT(INOUT) :: qmmm_energy local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_ks_qmmm_methods.F154 SUBROUTINE qmmm_calculate_energy(qs_env, rho, v_qmmm, qmmm_energy) argument
158 REAL(KIND=dp), INTENT(INOUT) :: qmmm_energy local
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmmm/
H A Dtask_qmmm_energy.F1123 function qmmm_energy(rtdb) function
1136 logical qmmm_energy local