remove trailing whitespace
This commit is contained in:
Axel Kohlmeyer
@ -171,7 +171,7 @@ void Special::atom_owners()
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int *proclist;
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memory->create(proclist,nlocal,"special:proclist");
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IDRvous *idbuf = (IDRvous *)
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IDRvous *idbuf = (IDRvous *)
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memory->smalloc((bigint) nlocal*sizeof(IDRvous),"special:idbuf");
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// setup input buf for rendezvous comm
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@ -185,7 +185,7 @@ void Special::atom_owners()
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}
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// perform rendezvous operation
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char *buf;
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comm->rendezvous(RVOUS,nlocal,(char *) idbuf,sizeof(IDRvous),0,proclist,
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rendezvous_ids,0,buf,0,(void *) this);
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@ -210,7 +210,7 @@ void Special::onetwo_build_newton()
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int nlocal = atom->nlocal;
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// nsend = # of my datums to send
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int nsend = 0;
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for (i = 0; i < nlocal; i++) {
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for (j = 0; j < num_bond[i]; j++) {
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@ -221,7 +221,7 @@ void Special::onetwo_build_newton()
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int *proclist;
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memory->create(proclist,nsend,"special:proclist");
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PairRvous *inbuf = (PairRvous *)
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PairRvous *inbuf = (PairRvous *)
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memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
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// setup input buf to rendezvous comm
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@ -239,7 +239,7 @@ void Special::onetwo_build_newton()
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nsend++;
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}
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}
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// perform rendezvous operation
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char *buf;
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@ -248,7 +248,7 @@ void Special::onetwo_build_newton()
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rendezvous_pairs,0,buf,sizeof(PairRvous),
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(void *) this);
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PairRvous *outbuf = (PairRvous *) buf;
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memory->destroy(proclist);
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memory->sfree(inbuf);
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@ -268,14 +268,14 @@ void Special::onetwo_build_newton()
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i = atom->map(outbuf[m].atomID);
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nspecial[i][0]++;
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}
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int max = 0;
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for (i = 0; i < nlocal; i++)
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max = MAX(max,nspecial[i][0]);
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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memory->create(onetwo,nlocal,maxall,"special:onetwo");
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for (i = 0; i < nlocal; i++) nspecial[i][0] = 0;
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for (i = 0; i < nlocal; i++) {
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@ -290,7 +290,7 @@ void Special::onetwo_build_newton()
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i = atom->map(outbuf[m].atomID);
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onetwo[i][nspecial[i][0]++] = outbuf[m].partnerID;
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}
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memory->sfree(outbuf);
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}
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@ -311,13 +311,13 @@ void Special::onetwo_build_newton_off()
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int max = 0;
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for (i = 0; i < nlocal; i++)
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max = MAX(max,num_bond[i]);
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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memory->create(onetwo,nlocal,maxall,"special:onetwo");
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// nsend = # of my datums to send
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// include nlocal datums with owner of each atom
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for (i = 0; i < nlocal; i++) {
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nspecial[i][0] = num_bond[i];
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for (j = 0; j < num_bond[i]; j++)
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@ -350,7 +350,7 @@ void Special::onethree_build()
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int *proclist;
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memory->create(proclist,nsend,"special:proclist");
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PairRvous *inbuf = (PairRvous *)
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PairRvous *inbuf = (PairRvous *)
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memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
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// setup input buf to rendezvous comm
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@ -402,11 +402,11 @@ void Special::onethree_build()
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i = atom->map(outbuf[m].atomID);
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nspecial[i][1]++;
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}
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int max = 0;
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for (i = 0; i < nlocal; i++)
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max = MAX(max,nspecial[i][1]);
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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memory->create(onethree,nlocal,maxall,"special:onethree");
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@ -456,7 +456,7 @@ void Special::onefour_build()
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int *proclist;
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memory->create(proclist,nsend,"special:proclist");
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PairRvous *inbuf = (PairRvous *)
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PairRvous *inbuf = (PairRvous *)
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memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
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// setup input buf to rendezvous comm
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@ -507,11 +507,11 @@ void Special::onefour_build()
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i = atom->map(outbuf[m].atomID);
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nspecial[i][2]++;
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}
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int max = 0;
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for (i = 0; i < nlocal; i++)
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max = MAX(max,nspecial[i][2]);
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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memory->create(onefour,nlocal,maxall,"special:onefour");
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@ -843,7 +843,7 @@ void Special::angle_trim()
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int *proclist;
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memory->create(proclist,nsend,"special:proclist");
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PairRvous *inbuf = (PairRvous *)
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PairRvous *inbuf = (PairRvous *)
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memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
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// setup input buf to rendezvous comm
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@ -904,7 +904,7 @@ void Special::angle_trim()
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}
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// perform rendezvous operation
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char *buf;
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int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PairRvous),
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0,proclist,
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@ -921,18 +921,18 @@ void Special::angle_trim()
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for (i = 0; i < nlocal; i++)
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max = MAX(max,nspecial[i][1]);
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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int **flag;
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memory->create(flag,nlocal,maxall,"special:flag");
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for (i = 0; i < nlocal; i++)
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for (j = 0; j < nspecial[i][1]; j++)
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flag[i][j] = 0;
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// reset nspecial[1] and onethree for all owned atoms based on output info
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// based on owned info plus rendezvous output info
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// output datums = pairs of atoms that are 1-3 neighbors
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for (i = 0; i < nlocal; i++) {
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for (j = 0; j < num_angle[i]; j++) {
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if (tag[i] != angle_atom2[i][j]) continue;
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@ -1011,7 +1011,7 @@ void Special::angle_trim()
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} else j++;
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}
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}
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memory->destroy(flag);
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// if no angles or dihedrals are defined, delete all 1-3 neighs
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@ -1089,9 +1089,9 @@ void Special::dihedral_trim()
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int *proclist;
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memory->create(proclist,nsend,"special:proclist");
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PairRvous *inbuf = (PairRvous *)
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PairRvous *inbuf = (PairRvous *)
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memory->smalloc((bigint) nsend*sizeof(PairRvous),"special:inbuf");
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// setup input buf to rendezvous comm
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// datums = pairs of onefour atom IDs in a dihedral defined for my atoms
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// only dihedrals where I own atom2 (in case newton_bond off)
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@ -1123,7 +1123,7 @@ void Special::dihedral_trim()
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}
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// perform rendezvous operation
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char *buf;
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int nreturn = comm->rendezvous(RVOUS,nsend,(char *) inbuf,sizeof(PairRvous),
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0,proclist,
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@ -1140,14 +1140,14 @@ void Special::dihedral_trim()
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for (i = 0; i < nlocal; i++)
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max = MAX(max,nspecial[i][2]);
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MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);
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int **flag;
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memory->create(flag,nlocal,maxall,"special:flag");
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for (i = 0; i < nlocal; i++)
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for (j = 0; j < nspecial[i][2]; j++)
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flag[i][j] = 0;
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for (i = 0; i < nlocal; i++) {
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for (j = 0; j < num_dihedral[i]; j++) {
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if (tag[i] != dihedral_atom2[i][j]) continue;
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@ -1195,9 +1195,9 @@ void Special::dihedral_trim()
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} else j++;
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}
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}
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memory->destroy(flag);
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// if no dihedrals are defined, delete all 1-4 neighs
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} else {
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@ -1235,10 +1235,10 @@ int Special::rendezvous_ids(int n, char *inbuf,
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int *procowner;
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tagint *atomIDs;
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memory->create(procowner,n,"special:procowner");
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memory->create(atomIDs,n,"special:atomIDs");
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IDRvous *in = (IDRvous *) inbuf;
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for (int i = 0; i < n; i++) {
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@ -1247,17 +1247,17 @@ int Special::rendezvous_ids(int n, char *inbuf,
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}
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// store rendezvous data in Special class
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sptr->nrvous = n;
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sptr->procowner = procowner;
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sptr->atomIDs = atomIDs;
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// flag = 0: no second comm needed in rendezvous
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flag = 0;
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return 0;
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}
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/* ----------------------------------------------------------------------
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process data for atoms assigned to me in rendezvous decomposition
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@ -1279,7 +1279,7 @@ int Special::rendezvous_pairs(int n, char *inbuf,
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atom->map_clear();
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// hash atom IDs stored in rendezvous decomposition
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int nrvous = sptr->nrvous;
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tagint *atomIDs = sptr->atomIDs;
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@ -1287,7 +1287,7 @@ int Special::rendezvous_pairs(int n, char *inbuf,
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atom->map_one(atomIDs[i],i);
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// proclist = owner of atomID in caller decomposition
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PairRvous *in = (PairRvous *) inbuf;
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int *procowner = sptr->procowner;
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memory->create(proclist,n,"special:proclist");
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@ -1299,7 +1299,7 @@ int Special::rendezvous_pairs(int n, char *inbuf,
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}
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outbuf = inbuf;
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// re-create atom map
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atom->map_init(0);
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@ -1307,7 +1307,7 @@ int Special::rendezvous_pairs(int n, char *inbuf,
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atom->map_set();
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// flag = 1: outbuf = inbuf
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flag = 1;
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return n;
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}
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