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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-26 00:50:29 +00:00
parent fbb475b9cd
commit 1f2a7add78
131 changed files with 1278 additions and 1496 deletions
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66
src/dump.cpp
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@ -125,12 +125,12 @@ Dump::~Dump()
delete [] format_default;
delete [] format_user;
memory->sfree(buf);
memory->sfree(bufsort);
memory->sfree(ids);
memory->sfree(idsort);
memory->sfree(index);
memory->sfree(proclist);
memory->destroy(buf);
memory->destroy(bufsort);
memory->destroy(ids);
memory->destroy(idsort);
memory->destroy(index);
memory->destroy(proclist);
delete irregular;
// XTC style sets fp to NULL since it closes file in its destructor
@ -153,11 +153,11 @@ void Dump::init()
init_style();
if (!sort_flag) {
memory->sfree(bufsort);
memory->sfree(ids);
memory->sfree(idsort);
memory->sfree(index);
memory->sfree(proclist);
memory->destroy(bufsort);
memory->destroy(ids);
memory->destroy(idsort);
memory->destroy(index);
memory->destroy(proclist);
delete irregular;
maxids = maxsort = maxproc = 0;
@ -281,14 +281,13 @@ void Dump::write()
if ((bigint) nmax * size_one > MAXSMALLINT)
error->all("Too much per-proc info for dump");
maxbuf = nmax;
memory->sfree(buf);
buf = (double *)
memory->smalloc(maxbuf*size_one*sizeof(double),"dump:buf");
memory->destroy(buf);
memory->create(buf,maxbuf*size_one,"dump:buf");
}
if (sort_flag && sortcol == 0 && nmax > maxids) {
maxids = nmax;
memory->sfree(ids);
ids = (int *) memory->smalloc(maxids*sizeof(int),"dump:ids");
memory->destroy(ids);
memory->create(ids,maxids,"dump:ids");
}
if (sort_flag && sortcol == 0) pack(ids);
@ -414,14 +413,13 @@ void Dump::sort()
if (nprocs == 1) {
if (nme > maxsort) {
maxsort = nme;
memory->sfree(bufsort);
bufsort = (double *)
memory->smalloc(maxsort*size_one*sizeof(double),"dump:bufsort");
memory->sfree(index);
index = (int *) memory->smalloc(maxsort*sizeof(int),"dump:index");
memory->destroy(bufsort);
memory->create(bufsort,maxsort*size_one,"dump:bufsort");
memory->destroy(index);
memory->create(index,maxsort,"dump:index");
if (sortcol == 0) {
memory->sfree(idsort);
idsort = (int *) memory->smalloc(maxsort*sizeof(int),"dump:idsort");
memory->destroy(idsort);
memory->create(idsort,maxsort,"dump:idsort");
}
}
@ -443,8 +441,8 @@ void Dump::sort()
if (nme > maxproc) {
maxproc = nme;
memory->sfree(proclist);
proclist = (int *) memory->smalloc(maxproc*sizeof(int),"dump:proclist");
memory->destroy(proclist);
memory->create(proclist,maxproc,"dump:proclist");
}
// proclist[i] = which proc Ith datum will be sent to
@ -493,14 +491,13 @@ void Dump::sort()
if (nme > maxsort) {
maxsort = nme;
memory->sfree(bufsort);
bufsort = (double *)
memory->smalloc(maxsort*size_one*sizeof(double),"dump:bufsort");
memory->sfree(index);
index = (int *) memory->smalloc(maxsort*sizeof(int),"dump:index");
memory->destroy(bufsort);
memory->create(bufsort,maxsort*size_one,"dump:bufsort");
memory->destroy(index);
memory->create(index,maxsort,"dump:index");
if (sortcol == 0) {
memory->sfree(idsort);
idsort = (int *) memory->smalloc(maxsort*sizeof(int),"dump:idsort");
memory->destroy(idsort);
memory->create(idsort,maxsort,"dump:idsort");
}
}
@ -545,9 +542,8 @@ void Dump::sort()
if (nmax > maxbuf) {
maxbuf = nmax;
memory->sfree(buf);
buf = (double *)
memory->smalloc(maxbuf*size_one*sizeof(double),"dump:buf");
memory->destroy(buf);
memory->create(buf,maxbuf*size_one,"dump:buf");
}
// copy data from bufsort to buf using index