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Searched refs:calculate_ecore_self (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_core_energies.F54 calculate_ecore_self
349 SUBROUTINE calculate_ecore_self(qs_env, E_self_core) subroutine
409 END SUBROUTINE calculate_ecore_self
H A Dqs_energy_init.F39 calculate_ecore_self
320 CALL calculate_ecore_self(qs_env)
H A Dqs_force.F44 calculate_ecore_self
294 CALL calculate_ecore_self(qs_env)
H A Dkg_energy_corrections.F80 calculate_ecore_self
444 CALL calculate_ecore_self(qs_env, E_self_core=eself)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_core_energies.F54 calculate_ecore_self
349 SUBROUTINE calculate_ecore_self(qs_env, E_self_core) subroutine
409 END SUBROUTINE calculate_ecore_self
H A Dqs_energy_init.F39 calculate_ecore_self
320 CALL calculate_ecore_self(qs_env)
H A Dqs_force.F45 calculate_ecore_self
295 CALL calculate_ecore_self(qs_env)
H A Dresponse_solver.F85 calculate_ecore_self
1168 CALL calculate_ecore_self(qs_env, E_self_core=eself)