Searched refs:charge_occup (Results 1 – 10 of 10) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | topology_pdb.F | 207 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
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H A D | motion_utils.F | 287 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, &
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H A D | particle_methods.F | 176 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
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H A D | topology_types.F | 170 LOGICAL :: charge_occup component 239 topology%charge_occup = .FALSE.
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H A D | topology_input.F | 62 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/))
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | topology_pdb.F | 207 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
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H A D | motion_utils.F | 287 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, &
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H A D | particle_methods.F | 177 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
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H A D | topology_types.F | 170 LOGICAL :: charge_occup component 239 topology%charge_occup = .FALSE.
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H A D | topology_input.F | 62 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/))
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