Searched refs:ate1c (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
H A D | atprop_types.F | 39 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
H A D | atprop_types.F | 39 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)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hartree_local_methods.F | 300 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
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H A D | qs_energy_utils.F | 256 CALL atprop_array_add(atprop%atener, atprop%ate1c)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hartree_local_methods.F | 312 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
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H A D | qs_energy_utils.F | 256 CALL atprop_array_add(atprop%atener, atprop%ate1c)
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