Searched refs:charge_beta (Results 1 – 10 of 10) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | topology_pdb.F | 208 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
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H A D | motion_utils.F | 286 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, &
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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 371 IF (PRESENT(charge_beta)) my_charge_beta = charge_beta
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H A D | topology_types.F | 171 LOGICAL :: charge_beta component 240 topology%charge_beta = .FALSE.
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H A D | topology_input.F | 63 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/))
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | topology_pdb.F | 208 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
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H A D | motion_utils.F | 286 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, &
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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 372 IF (PRESENT(charge_beta)) my_charge_beta = charge_beta
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H A D | topology_types.F | 171 LOGICAL :: charge_beta component 240 topology%charge_beta = .FALSE.
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H A D | topology_input.F | 63 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/))
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