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Searched refs:charge_beta (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_pdb.F208 IF (topology%charge_beta) atom_info%atm_charge(natom) = atom_info%beta(natom)
292 LOGICAL :: charge_beta, charge_extended, & local
308 CALL section_vals_val_get(print_key, "CHARGE_BETA", l_val=charge_beta)
310 i = COUNT((/charge_occup, charge_beta, charge_extended/))
370 IF (ANY((/charge_occup, charge_beta, charge_extended/)) .AND. &
375 ELSE IF (charge_beta) THEN
H A Dmotion_utils.F286 LOGICAL :: charge_beta, charge_extended, & local
331 charge_beta = .FALSE.
392 l_val=charge_beta)
395 i = COUNT((/charge_occup, charge_beta, charge_extended/))
446 charge_beta=charge_beta, &
H A Dparticle_methods.F176 charge_occup, charge_beta, & argument
185 LOGICAL, INTENT(IN), OPTIONAL :: charge_occup, charge_beta, & local
371 IF (PRESENT(charge_beta)) my_charge_beta = charge_beta
H A Dtopology_types.F171 LOGICAL :: charge_beta component
240 topology%charge_beta = .FALSE.
H A Dtopology_input.F63 CALL section_vals_val_get(topology_section, "CHARGE_BETA", l_val=topology%charge_beta)
65 ival = COUNT((/topology%charge_occup, topology%charge_beta, topology%charge_extended/))
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_pdb.F208 IF (topology%charge_beta) atom_info%atm_charge(natom) = atom_info%beta(natom)
292 LOGICAL :: charge_beta, charge_extended, & local
308 CALL section_vals_val_get(print_key, "CHARGE_BETA", l_val=charge_beta)
310 i = COUNT((/charge_occup, charge_beta, charge_extended/))
370 IF (ANY((/charge_occup, charge_beta, charge_extended/)) .AND. &
375 ELSE IF (charge_beta) THEN
H A Dmotion_utils.F286 LOGICAL :: charge_beta, charge_extended, & local
331 charge_beta = .FALSE.
392 l_val=charge_beta)
395 i = COUNT((/charge_occup, charge_beta, charge_extended/))
446 charge_beta=charge_beta, &
H A Dparticle_methods.F177 charge_occup, charge_beta, & argument
186 LOGICAL, INTENT(IN), OPTIONAL :: charge_occup, charge_beta, & local
372 IF (PRESENT(charge_beta)) my_charge_beta = charge_beta
H A Dtopology_types.F171 LOGICAL :: charge_beta component
240 topology%charge_beta = .FALSE.
H A Dtopology_input.F63 CALL section_vals_val_get(topology_section, "CHARGE_BETA", l_val=topology%charge_beta)
65 ival = COUNT((/topology%charge_occup, topology%charge_beta, topology%charge_extended/))