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Searched refs:ate1c (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Datprop_types.F39 REAL(KIND=dp), DIMENSION(:), POINTER :: ate1c component
59 NULLIFY (atprop_env%ateself, atprop_env%atexc, atprop_env%ate1c)
87 CALL atprop_array_release(atprop_env%ate1c)
175 CALL atprop_array_release(atprop_env%ate1c)
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Datprop_types.F39 REAL(KIND=dp), DIMENSION(:), POINTER :: ate1c component
59 NULLIFY (atprop_env%ateself, atprop_env%atexc, atprop_env%ate1c)
87 CALL atprop_array_release(atprop_env%ate1c)
175 CALL atprop_array_release(atprop_env%ate1c)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhartree_local_methods.F300 CALL atprop_array_init(atprop%ate1c, natom)
405 nchan_0, nspins, max_iso_not0, atenergy, atprop%ate1c)
523 nchan_0, nspins, max_iso_not0, atenergy, ate1c) argument
536 REAL(dp), DIMENSION(:), POINTER :: ate1c local
581 ate1c(iatom) = ate1c(iatom) + ecoul_1_z - ecoul_1_0
H A Dqs_energy_utils.F256 CALL atprop_array_add(atprop%atener, atprop%ate1c)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhartree_local_methods.F312 CALL atprop_array_init(atprop%ate1c, natom)
417 nchan_0, nspins, max_iso_not0, atenergy, atprop%ate1c)
535 nchan_0, nspins, max_iso_not0, atenergy, ate1c) argument
548 REAL(dp), DIMENSION(:), POINTER :: ate1c local
593 ate1c(iatom) = ate1c(iatom) + ecoul_1_z - ecoul_1_0
H A Dqs_energy_utils.F256 CALL atprop_array_add(atprop%atener, atprop%ate1c)