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Searched refs:maxeatom (Results 1 – 25 of 110) 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()
136 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
137 maxeatom = atom->nmax; in ev_setup()
139 memory->create(eatom,comm->nthreads*maxeatom,"bond:eatom"); in ev_setup()
257 double bytes = comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Ddihedral.cpp71 maxeatom = maxvatom = 0; in Dihedral()
122 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
123 maxeatom = atom->nmax; in ev_setup()
125 memory->create(eatom,comm->nthreads*maxeatom,"bond:eatom"); in ev_setup()
285 double bytes = comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Dangle.cpp70 maxeatom = maxvatom = 0; in Angle()
122 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
123 maxeatom = atom->nmax; in ev_setup()
125 memory->create(eatom,comm->nthreads*maxeatom,"angle:eatom"); in ev_setup()
263 double bytes = comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Dimproper.cpp68 maxeatom = maxvatom = 0; in Improper()
118 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
119 maxeatom = atom->nmax; in ev_setup()
121 memory->create(eatom,comm->nthreads*maxeatom,"bond:eatom"); in ev_setup()
281 double bytes = comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Dkspace.cpp98 maxeatom = maxvatom = 0; in KSpace()
228 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
229 maxeatom = atom->nmax; in ev_setup()
231 memory->create(eatom,maxeatom,"kspace:eatom"); 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 Dbond.cpp45 maxeatom = maxvatom = 0; in Bond()
110 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
111 maxeatom = atom->nmax; in ev_setup()
114 memory->create(eatom,comm->nthreads*maxeatom,"bond:eatom"); in ev_setup()
325 double bytes = (double)comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Dangle.cpp39 maxeatom = maxvatom = maxcvatom = 0; in Angle()
116 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
117 maxeatom = atom->nmax; in ev_setup()
120 memory->create(eatom,comm->nthreads*maxeatom,"angle:eatom"); in ev_setup()
354 double bytes = (double)comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Dfix.cpp100 maxeatom = maxvatom = 0; in Fix()
213 if (eflag_atom && atom->nlocal > maxeatom) { in ev_setup()
214 maxeatom = atom->nmax; in ev_setup()
216 memory->create(eatom,maxeatom,"fix:eatom"); in ev_setup()
H A Dimproper.cpp38 maxeatom = maxvatom = maxcvatom = 0; in Improper()
115 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
116 maxeatom = atom->nmax; in ev_setup()
119 memory->create(eatom,comm->nthreads*maxeatom,"improper:eatom"); in ev_setup()
415 double bytes = (double)comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Ddihedral.cpp40 maxeatom = maxvatom = maxcvatom = 0; in Dihedral()
116 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
117 maxeatom = atom->nmax; in ev_setup()
120 memory->create(eatom,comm->nthreads*maxeatom,"dihedral:eatom"); in ev_setup()
415 double bytes = (double)comm->nthreads*maxeatom * sizeof(double); in memory_usage()
H A Dkspace.cpp89 maxeatom = maxvatom = 0; in KSpace()
251 if (eflag_atom && atom->nmax > maxeatom) { in ev_setup()
252 maxeatom = atom->nmax; in ev_setup()
255 memory->create(eatom,maxeatom,"kspace:eatom"); 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
H A Dfix.h253 int maxeatom, maxvatom; variable
/dports/science/lammps/lammps-stable_29Sep2021/src/KIM/
H A Dpair_kim.cpp944 if (atom->nmax > maxeatom) { in set_argument_pointers()
945 maxeatom = atom->nmax; in set_argument_pointers()
947 memory->create(eatom,comm->nthreads*maxeatom,"pair:eatom"); in set_argument_pointers()

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