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Searched refs:maxvatom (Results 1 – 25 of 118) sorted by relevance

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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dbond.cpp71 maxeatom = maxvatom = 0; in Bond()
141 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
142 maxvatom = atom->nmax; in ev_setup()
144 memory->create(vatom,comm->nthreads*maxvatom,6,"bond:vatom"); in ev_setup()
258 bytes += comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Dfix.cpp130 maxvatom = 0; in Fix()
189 if (vflag_atom && atom->nlocal > maxvatom) { in v_setup()
190 maxvatom = atom->nmax; in v_setup()
192 memory->create(vatom,maxvatom,6,"fix:vatom"); in v_setup()
H A Ddihedral.cpp71 maxeatom = maxvatom = 0; in Dihedral()
127 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
128 maxvatom = atom->nmax; in ev_setup()
130 memory->create(vatom,comm->nthreads*maxvatom,6,"bond:vatom"); in ev_setup()
286 bytes += comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Dangle.cpp70 maxeatom = maxvatom = 0; in Angle()
127 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
128 maxvatom = atom->nmax; in ev_setup()
130 memory->create(vatom,comm->nthreads*maxvatom,6,"angle:vatom"); in ev_setup()
264 bytes += comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Dimproper.cpp68 maxeatom = maxvatom = 0; in Improper()
123 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
124 maxvatom = atom->nmax; in ev_setup()
126 memory->create(vatom,comm->nthreads*maxvatom,6,"bond:vatom"); in ev_setup()
282 bytes += comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Dkspace.cpp98 maxeatom = maxvatom = 0; in KSpace()
233 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
234 maxvatom = atom->nmax; in ev_setup()
236 memory->create(vatom,maxvatom,6,"kspace:vatom"); in ev_setup()
H A Dimproper.h87 int maxeatom,maxvatom; variable
H A Ddihedral.h88 int maxeatom,maxvatom; variable
H A Dangle.h90 int maxeatom,maxvatom; variable
H A Dbond.h89 int maxeatom,maxvatom; variable
H A Dkspace.h193 int maxeatom,maxvatom; variable
H A Dpair.h228 int maxeatom,maxvatom; variable
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dfix.cpp100 maxeatom = maxvatom = 0; in Fix()
218 if (vflag_atom && atom->nlocal > maxvatom) { in ev_setup()
219 maxvatom = atom->nmax; in ev_setup()
221 memory->create(vatom,maxvatom,6,"fix:vatom"); in ev_setup()
263 if (vflag_atom && atom->nlocal > maxvatom) { in v_setup()
264 maxvatom = atom->nmax; in v_setup()
266 memory->create(vatom,maxvatom,6,"fix:vatom"); in v_setup()
H A Dbond.cpp45 maxeatom = maxvatom = 0; in Bond()
117 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
118 maxvatom = atom->nmax; in ev_setup()
121 memory->create(vatom,comm->nthreads*maxvatom,6,"bond:vatom"); in ev_setup()
326 bytes += (double)comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Dangle.cpp39 maxeatom = maxvatom = maxcvatom = 0; in Angle()
123 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
124 maxvatom = atom->nmax; in ev_setup()
127 memory->create(vatom,comm->nthreads*maxvatom,6,"angle:vatom"); in ev_setup()
355 bytes += (double)comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Dimproper.cpp38 maxeatom = maxvatom = maxcvatom = 0; in Improper()
122 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
123 maxvatom = atom->nmax; in ev_setup()
126 memory->create(vatom,comm->nthreads*maxvatom,6,"improper:vatom"); in ev_setup()
416 bytes += (double)comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Ddihedral.cpp40 maxeatom = maxvatom = maxcvatom = 0; in Dihedral()
123 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
124 maxvatom = atom->nmax; in ev_setup()
127 memory->create(vatom,comm->nthreads*maxvatom,6,"dihedral:vatom"); in ev_setup()
416 bytes += (double)comm->nthreads*maxvatom*6 * sizeof(double); in memory_usage()
H A Dkspace.cpp89 maxeatom = maxvatom = 0; in KSpace()
258 if (vflag_atom && atom->nmax > maxvatom) { in ev_setup()
259 maxvatom = atom->nmax; in ev_setup()
262 memory->create(vatom,maxvatom,6,"kspace:vatom"); in ev_setup()
H A Dbond.h67 int maxeatom, maxvatom; variable
H A Dangle.h67 int maxeatom, maxvatom, maxcvatom; variable
H A Dimproper.h65 int maxeatom, maxvatom, maxcvatom; variable
H A Ddihedral.h65 int maxeatom, maxvatom, maxcvatom; variable
H A Dkspace.h201 int maxeatom, maxvatom; variable
H A Dpair.h256 int maxeatom, maxvatom, maxcvatom; variable
/dports/science/lammps/lammps-stable_29Sep2021/src/KIM/
H A Dpair_kim.cpp981 if (atom->nmax > maxvatom) { in set_argument_pointers()
982 maxvatom = atom->nmax; in set_argument_pointers()
984 memory->create(vatom,comm->nthreads*maxvatom,6,"pair:vatom"); in set_argument_pointers()

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