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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dmolecule_types.F106 INTEGER :: last_atom ! global index of last atom in molecule component
294 first_atom, last_atom, first_shell, last_shell) argument
307 INTEGER, OPTIONAL :: first_atom, last_atom, first_shell, & local
422 SUBROUTINE set_molecule_set(molecule_set, first_atom, last_atom) argument
424 INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL :: first_atom, last_atom local
481 INTEGER :: first_atom, iatom, imol, last_atom local
519 INTEGER :: first_atom, iatom, imol, last_atom, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dmolecule_types.F106 INTEGER :: last_atom ! global index of last atom in molecule component
294 first_atom, last_atom, first_shell, last_shell) argument
307 INTEGER, OPTIONAL :: first_atom, last_atom, first_shell, & local
422 SUBROUTINE set_molecule_set(molecule_set, first_atom, last_atom) argument
424 INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL :: first_atom, last_atom local
481 INTEGER :: first_atom, iatom, imol, last_atom local
519 INTEGER :: first_atom, iatom, imol, last_atom, & local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_constraint_util.F101 k2loc, kk, last, last_atom, m, n_start_colv, natom, nbond, ncolv_glob, ncolv_mol, & local
1092 SUBROUTINE setup_lcolv(lcolv, ilist, first_atom, last_atom, cons_info, & argument
1098 INTEGER, INTENT(IN) :: first_atom, last_atom local
1191 SUBROUTINE setup_lg3x3(lg3x3, g3x3_list, first_atom, last_atom) argument
1195 INTEGER, INTENT(IN) :: first_atom, last_atom local
1244 SUBROUTINE setup_lg4x6(lg4x6, g4x6_list, first_atom, last_atom) argument
1248 INTEGER, INTENT(IN) :: first_atom, last_atom local
H A Dqmmm_topology_util.F120 last_atom, natom, output_unit, & local
H A Dinput_restart_force_eval.F513 INTEGER :: handle, ik, imol, irk, last_atom, Nlist local
825 INTEGER :: handle, imolecule, iparticle, last_atom local
H A Dmscfg_methods.F151 isize, j, k, last_atom, my_targ, nb_eigenval_stored, nmo, nmo_of_frag, nmosets_of_frag, & local
H A Dnegf_control_types.F474 INTEGER :: first_atom, handle, iatom, ikind, imol, iname, irep, last_atom, natoms_current, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_constraint_util.F101 k2loc, kk, last, last_atom, m, n_start_colv, natom, nbond, ncolv_glob, ncolv_mol, & local
1092 SUBROUTINE setup_lcolv(lcolv, ilist, first_atom, last_atom, cons_info, & argument
1098 INTEGER, INTENT(IN) :: first_atom, last_atom local
1191 SUBROUTINE setup_lg3x3(lg3x3, g3x3_list, first_atom, last_atom) argument
1195 INTEGER, INTENT(IN) :: first_atom, last_atom local
1244 SUBROUTINE setup_lg4x6(lg4x6, g4x6_list, first_atom, last_atom) argument
1248 INTEGER, INTENT(IN) :: first_atom, last_atom local
H A Dqmmm_topology_util.F120 last_atom, natom, output_unit, & local
H A Dinput_restart_force_eval.F515 INTEGER :: handle, ik, imol, irk, last_atom, Nlist local
827 INTEGER :: handle, imolecule, iparticle, last_atom local
H A Dnegf_control_types.F474 INTEGER :: first_atom, handle, iatom, ikind, imol, iname, irep, last_atom, natoms_current, & local
H A Dmscfg_methods.F151 isize, j, k, last_atom, my_targ, nb_eigenval_stored, nmo, nmo_of_frag, nmosets_of_frag, & local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/
H A Dal_system_dynamics.F137 ipart, last_atom, nmol_local local
185 iparticle_local, last_atom, nmol_local, nparticle, nparticle_kind, nparticle_local local
H A Dthermostat_mapping.F191 imol, imol_local, ipart, jj, k, kk, last_atom, last_shell, nglob_cns, nmol_local, number local
403 last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, nshell local
644 imol_local, ipart, itmp, jj, k, kk, last_atom, last_shell, nglob_cns, nmol_local local
835 imol_local, j, jatm, katom, last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, & local
H A Dthermostat_utils.F254 last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, & local
444 ipart, itherm, jg, last_atom, & local
724 INTEGER :: first_atom, i, ig, ikind, ilist, imol, ipart, jg, last_atom, mregions, n_rep, & local
871 last_atom, nrep, thermo1 local
1018 ipart, last_atom, nmol_local local
1087 ipart, last_atom, nmol_local local
1158 ipart, jj, last_atom, nmol_local, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/
H A Dal_system_dynamics.F139 ipart, last_atom, nmol_local local
187 iparticle_local, last_atom, nmol_local, nparticle, nparticle_kind, nparticle_local local
H A Dthermostat_mapping.F191 imol, imol_local, ipart, jj, k, kk, last_atom, last_shell, nglob_cns, nmol_local, number local
403 last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, nshell local
644 imol_local, ipart, itmp, jj, k, kk, last_atom, last_shell, nglob_cns, nmol_local local
835 imol_local, j, jatm, katom, last_atom, natom, nc, nfixd, nkind, nmol_per_kind, nmolecule, & local
H A Dthermostat_utils.F254 last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, & local
444 ipart, itherm, jg, last_atom, & local
724 INTEGER :: first_atom, i, ig, ikind, ilist, imol, ipart, jg, last_atom, mregions, n_rep, & local
871 last_atom, nrep, thermo1 local
1018 ipart, last_atom, nmol_local local
1087 ipart, last_atom, nmol_local local
1158 ipart, jj, last_atom, nmol_local, & local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dreftraj_util.F168 last_atom, natom_read, nkind, nmol, & local
329 INTEGER :: atom, bo(2), first_atom, iatom, ikind, imol, imol_global, last_atom, mepos, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dreftraj_util.F168 last_atom, natom_read, nkind, nmol, & local
329 INTEGER :: atom, bo(2), first_atom, iatom, ikind, imol, imol_global, last_atom, mepos, & local
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/champ/
H A Dchamp.c1341 int cur_atom=0,last_atom = 0; in ChampModelToPat() local
4143 int last_atom = 0; in ChampOrientBonds() local
4748 int last_atom = 0; in ChampSmiToPat() local
/dports/multimedia/musikcube/musikcube-0.96.7/src/plugins/m4adecoder/mp4ff/
H A Dmp4ffint.h223 uint8_t last_atom; member
/dports/audio/deadbeef/deadbeef-0.7.2/plugins/libmp4ff/
H A Dmp4ffint.h273 uint8_t last_atom; member
/dports/math/yices/yices-2.6.2/src/io/
H A Dpretty_printer.h698 pp_atomic_token_t *last_atom; member
/dports/science/gromacs/gromacs-2021.4/src/gromacs/selection/
H A Dindexutil.cpp890 int last_atom = atnr_mol + 1; in gmx_ana_index_make_block() local

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