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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_pdb.F207 IF (topology%charge_occup) atom_info%atm_charge(natom) = atom_info%occup(natom)
293 charge_occup, ldum local
307 CALL section_vals_val_get(print_key, "CHARGE_OCCUP", l_val=charge_occup)
310 i = COUNT((/charge_occup, charge_beta, charge_extended/))
370 IF (ANY((/charge_occup, charge_beta, charge_extended/)) .AND. &
373 IF (charge_occup) THEN
H A Dmotion_utils.F287 charge_occup, explicit, & local
330 charge_occup = .FALSE.
390 l_val=charge_occup)
395 i = COUNT((/charge_occup, charge_beta, charge_extended/))
445 charge_occup=charge_occup, &
H A Dparticle_methods.F176 charge_occup, charge_beta, & argument
185 LOGICAL, INTENT(IN), OPTIONAL :: charge_occup, charge_beta, & local
369 IF (PRESENT(charge_occup)) my_charge_occup = charge_occup
H A Dtopology_types.F170 LOGICAL :: charge_occup component
239 topology%charge_occup = .FALSE.
H A Dtopology_input.F62 CALL section_vals_val_get(topology_section, "CHARGE_OCCUP", l_val=topology%charge_occup)
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.F207 IF (topology%charge_occup) atom_info%atm_charge(natom) = atom_info%occup(natom)
293 charge_occup, ldum local
307 CALL section_vals_val_get(print_key, "CHARGE_OCCUP", l_val=charge_occup)
310 i = COUNT((/charge_occup, charge_beta, charge_extended/))
370 IF (ANY((/charge_occup, charge_beta, charge_extended/)) .AND. &
373 IF (charge_occup) THEN
H A Dmotion_utils.F287 charge_occup, explicit, & local
330 charge_occup = .FALSE.
390 l_val=charge_occup)
395 i = COUNT((/charge_occup, charge_beta, charge_extended/))
445 charge_occup=charge_occup, &
H A Dparticle_methods.F177 charge_occup, charge_beta, & argument
186 LOGICAL, INTENT(IN), OPTIONAL :: charge_occup, charge_beta, & local
370 IF (PRESENT(charge_occup)) my_charge_occup = charge_occup
H A Dtopology_types.F170 LOGICAL :: charge_occup component
239 topology%charge_occup = .FALSE.
H A Dtopology_input.F62 CALL section_vals_val_get(topology_section, "CHARGE_OCCUP", l_val=topology%charge_occup)
65 ival = COUNT((/topology%charge_occup, topology%charge_beta, topology%charge_extended/))