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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10982 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-11-05 17:56:17 +00:00
parent c90a68646c
commit c44a7a2673
1 changed files with 15 additions and 1 deletions
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16
src/variable.cpp
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@ -605,7 +605,7 @@ double Variable::compute_equal(char *str)
}
/* ----------------------------------------------------------------------
compute result of atom-style and atomfile-atyle variable evaluation
compute result of atom-style and atomfile-style variable evaluation
only computed for atoms in igroup, else result is 0.0
answers are placed every stride locations into result
if sumflag, add variable values to existing result
@ -1036,6 +1036,10 @@ double Variable::evaluate(char *str, Tree **tree)
peratom2global(1,NULL,&compute->array_atom[0][index2-1],
compute->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack);
else
peratom2global(1,NULL,NULL,
compute->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack);
// c_ID = vector from per-atom vector
@ -1219,6 +1223,10 @@ double Variable::evaluate(char *str, Tree **tree)
peratom2global(1,NULL,&fix->array_atom[0][index2-1],
fix->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack);
else
peratom2global(1,NULL,NULL,
fix->size_peratom_cols,index1,
tree,treestack,ntreestack,argstack,nargstack);
// f_ID = vector from per-atom vector
@ -3350,6 +3358,8 @@ void Variable::peratom2global(int flag, char *word,
int index = atom->map(id);
printf("WORD %d %d %s %d\n",me,index,word,flag);
double mine;
if (index >= 0 && index < atom->nlocal) {
@ -3376,9 +3386,13 @@ void Variable::peratom2global(int flag, char *word,
} else mine = 0.0;
printf("PRE %d %d %s %d\n",me,index,word,flag);
double value;
MPI_Allreduce(&mine,&value,1,MPI_DOUBLE,MPI_SUM,world);
printf("POST %d %d %s %d\n",me,index,word,flag);
if (tree) {
Tree *newtree = new Tree();
newtree->type = VALUE;