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Searched refs:maxall (Results 1 – 21 of 21) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/
H A Dgetmem.F27 parameter (maxall=1000)
47 if (nreq.lt.maxall) then
51 1 nreq,maxall)
88 parameter (maxall=1000)
108 if (nreq.lt.maxall) then
112 1 nreq,maxall)
125 parameter (maxall=1000)
136 parameter (maxall=1000)
165 parameter (maxall=1000)
178 parameter (maxall=1000)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/texas/
H A Dgetmem.F27 parameter (maxall=1000)
47 if (nreq.lt.maxall) then
51 1 nreq,maxall)
88 parameter (maxall=1000)
108 if (nreq.lt.maxall) then
112 1 nreq,maxall)
125 parameter (maxall=1000)
136 parameter (maxall=1000)
165 parameter (maxall=1000)
178 parameter (maxall=1000)
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dsort_buffer.cpp149 int minall,maxall; in init() local
151 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in init()
154 if (maxall-minall+1 == isize) in init()
157 double range = maxall-minall + EPSILON; in init()
330 int minall,maxall; in sort() local
332 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in sort()
333 double range = maxall-minall + EPSILON; in sort()
347 double minall,maxall; in sort() local
349 MPI_Allreduce(&max,&maxall,1,MPI_DOUBLE,MPI_MAX,world); in sort()
350 double range = maxall-minall + EPSILON*(maxall-minall); in sort()
H A Dspecial.cpp90 int max,maxall,nbuf; in build() local
156 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in build()
159 if (screen) fprintf(screen," %d = max # of 1-2 neighbors\n",maxall); in build()
160 if (logfile) fprintf(logfile," %d = max # of 1-2 neighbors\n",maxall); in build()
163 memory->create(onetwo,nlocal,maxall,"special:onetwo"); in build()
268 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in build()
271 if (screen) fprintf(screen," %d = max # of 1-3 neighbors\n",maxall); in build()
275 memory->create(onethree,nlocal,maxall,"special:onethree"); in build()
384 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in build()
387 if (screen) fprintf(screen," %d = max # of 1-4 neighbors\n",maxall); in build()
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H A Dthermo.cpp1400 double maxall; in compute_fmax() local
1401 MPI_Allreduce(&max,&maxall,1,MPI_DOUBLE,MPI_MAX,world); in compute_fmax()
1402 dvalue = maxall; in compute_fmax()
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dspecial.cpp268 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in onetwo_build_newton()
269 memory->create(onetwo,nlocal,maxall,"special:onetwo"); in onetwo_build_newton()
307 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in onetwo_build_newton_off()
308 memory->create(onetwo,nlocal,maxall,"special:onetwo"); in onetwo_build_newton_off()
399 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in onethree_build()
501 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in onefour_build()
502 memory->create(onefour,nlocal,maxall,"special:onefour"); in onefour_build()
907 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in angle_trim()
910 memory->create(flag,nlocal,maxall,"special:flag"); in angle_trim()
1118 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in dihedral_trim()
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H A Dread_data.cpp1346 int maxall; in bonds() local
1354 if (maxall > atom->bond_per_atom) in bonds()
1357 } else atom->bond_per_atom = maxall; in bonds()
1420 int maxall; in angles() local
1428 if (maxall > atom->angle_per_atom) in angles()
1431 } else atom->angle_per_atom = maxall; in angles()
1494 int maxall; in dihedrals() local
1502 if (maxall > atom->dihedral_per_atom) in dihedrals()
1505 } else atom->dihedral_per_atom = maxall; in dihedrals()
1568 int maxall; in impropers() local
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H A Ddump.cpp269 tagint minall,maxall; in init() local
271 MPI_Allreduce(&max,&maxall,1,MPI_LMP_TAGINT,MPI_MAX,world); in init()
273 if (maxall-minall+1 == isize) { in init()
275 double range = maxall-minall + EPSILON; in init()
665 tagint minall,maxall; in sort() local
667 MPI_Allreduce(&max,&maxall,1,MPI_LMP_TAGINT,MPI_MAX,world); in sort()
673 double range = maxall-minall + 0.5; in sort()
687 double minall,maxall; in sort() local
689 MPI_Allreduce(&max,&maxall,1,MPI_DOUBLE,MPI_MAX,world); in sort()
690 double range = maxall-minall + EPSILON*(maxall-minall); in sort()
H A Dfix_halt.cpp282 double maxall; in bondmax() local
283 MPI_Allreduce(&maxone,&maxall,1,MPI_DOUBLE,MPI_MAX,world); in bondmax()
285 return sqrt(maxall); in bondmax()
H A Dspecial.h29 int maxall; variable
H A Dfix_deposit.cpp381 double max,maxall,delx,dely,delz,rsq; in pre_exchange() local
406 MPI_Allreduce(&max,&maxall,1,MPI_DOUBLE,MPI_MAX,world); in pre_exchange()
408 coord[1] = maxall + lo + random->uniform()*(hi-lo); in pre_exchange()
410 coord[2] = maxall + lo + random->uniform()*(hi-lo); in pre_exchange()
H A Datom.cpp887 tagint minall,maxall; in tag_check() local
889 MPI_Allreduce(&max,&maxall,1,MPI_LMP_TAGINT,MPI_MAX,world); in tag_check()
892 if (maxall >= MAXTAGINT) error->all(FLERR,"One or more atom IDs is too big"); in tag_check()
893 if (maxall > 0 && minall == 0) in tag_check()
895 if (maxall > 0 && tag_enable == 0) in tag_check()
897 if (maxall == 0 && natoms && tag_enable) in tag_check()
899 if (tag_enable && maxall < natoms) in tag_check()
H A Dthermo.cpp2118 double maxall; in compute_fmax() local
2119 MPI_Allreduce(&max,&maxall,1,MPI_DOUBLE,MPI_MAX,world); in compute_fmax()
2120 dvalue = maxall; in compute_fmax()
H A Dcompute_chunk_atom.cpp533 tagint maxall; in init() local
534 MPI_Allreduce(&maxone,&maxall,1,MPI_LMP_TAGINT,MPI_MAX,world); in init()
535 if (maxall > MAXSMALLINT) in init()
/dports/science/lammps/lammps-stable_29Sep2021/src/REPLICA/
H A Dfix_hyper_local.cpp151 maxall = nall_old = 0; in FixHyperLocal()
1046 if (nall > maxall) { in build_bond_list()
1050 maxall = atom->nmax; in build_bond_list()
1051 memory->create(xold,maxall,3,"hyper/local:xold"); in build_bond_list()
1052 memory->create(tagold,maxall,"hyper/local:tagold"); in build_bond_list()
1053 memory->create(old2now,maxall,"hyper/local:old2now"); in build_bond_list()
1738 bytes += (double)maxall * sizeof(int); // old2now in memory_usage()
1739 bytes += (double)maxall * sizeof(tagint); // tagold in memory_usage()
1740 bytes += (double)3*maxall * sizeof(double); // xold in memory_usage()
1741 bytes += (double)2*maxall * sizeof(double); // maxstrain,maxstrain_domain in memory_usage()
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H A Dfix_hyper_local.h156 int maxall; // allocated size of old all atom vecs variable
/dports/science/lammps/lammps-stable_29Sep2021/src/MACHDYN/
H A Dfix_smd_tlsph_reference_configuration.cpp262 int maxall; in setup() local
263 MPI_Allreduce(&maxpartner, &maxall, 1, MPI_INT, MPI_MAX, world); in setup()
264 maxpartner = maxall; in setup()
/dports/science/lammps/lammps-stable_29Sep2021/src/PERI/
H A Dfix_peri_neigh.cpp218 int maxall; in setup() local
219 MPI_Allreduce(&maxpartner,&maxall,1,MPI_INT,MPI_MAX,world); in setup()
220 maxpartner = maxall; in setup()
/dports/science/sparta/sparta-20Oct2021/src/
H A Dgrid_surf.cpp297 int maxall; in surf2grid_cell_algorithm() local
298 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in surf2grid_cell_algorithm()
299 if (maxall) { in surf2grid_cell_algorithm()
300 if (me == 0) printf("Max surfs in any cell = %d\n",maxall); in surf2grid_cell_algorithm()
1097 int maxall; in surf2grid_split() local
1098 MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world); in surf2grid_split()
1099 if (maxall) { in surf2grid_split()
1100 if (me == 0) printf("Max split cells in any cell = %d\n",maxall); in surf2grid_split()
/dports/math/reduce/Reduce-svn5758-src/packages/redlog/rlsupport/
H A Drlservice.red280 integer minswitch, maxother, maxall;
311 maxall := max2(pos, maxall); % largest overall position
317 maxall := max2(pos, maxall);
337 if not eqn(maxall, length names) then
/dports/biology/emboss/EMBOSS-6.6.0/
H A DChangeLog2755 sequence, -maxall gives the total maximum number of hits. The