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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-06 22:47:51 +00:00
parent f46eb9dedb
commit ef9e700545
1408 changed files with 58053 additions and 57983 deletions
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54
src/dump_local.cpp
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@ -5,7 +5,7 @@
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
@ -32,7 +32,7 @@ enum{INT,DOUBLE};
/* ---------------------------------------------------------------------- */
DumpLocal::DumpLocal(LAMMPS *lmp, int narg, char **arg) :
DumpLocal::DumpLocal(LAMMPS *lmp, int narg, char **arg) :
Dump(lmp, narg, arg)
{
if (narg == 5) error->all(FLERR,"No dump local arguments specified");
@ -209,8 +209,8 @@ int DumpLocal::count()
if (ncompute) {
for (i = 0; i < ncompute; i++) {
if (!(compute[i]->invoked_flag & INVOKED_LOCAL)) {
compute[i]->compute_local();
compute[i]->invoked_flag |= INVOKED_LOCAL;
compute[i]->compute_local();
compute[i]->invoked_flag |= INVOKED_LOCAL;
}
}
}
@ -289,27 +289,27 @@ void DumpLocal::parse_fields(int narg, char **arg)
char *ptr = strchr(suffix,'[');
if (ptr) {
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Invalid attribute in dump local command");
argindex[i] = atoi(ptr+1);
*ptr = '\0';
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Invalid attribute in dump local command");
argindex[i] = atoi(ptr+1);
*ptr = '\0';
} else argindex[i] = 0;
n = modify->find_compute(suffix);
if (n < 0) error->all(FLERR,"Could not find dump local compute ID");
if (modify->compute[n]->local_flag == 0)
error->all(FLERR,"Dump local compute does not compute local info");
error->all(FLERR,"Dump local compute does not compute local info");
if (argindex[i] == 0 && modify->compute[n]->size_local_cols > 0)
error->all(FLERR,"Dump local compute does not calculate local vector");
error->all(FLERR,"Dump local compute does not calculate local vector");
if (argindex[i] > 0 && modify->compute[n]->size_local_cols == 0)
error->all(FLERR,"Dump local compute does not calculate local array");
if (argindex[i] > 0 &&
argindex[i] > modify->compute[n]->size_local_cols)
error->all(FLERR,"Dump local compute vector is accessed out-of-range");
error->all(FLERR,"Dump local compute does not calculate local array");
if (argindex[i] > 0 &&
argindex[i] > modify->compute[n]->size_local_cols)
error->all(FLERR,"Dump local compute vector is accessed out-of-range");
field2index[i] = add_compute(suffix);
delete [] suffix;
// fix value = f_ID
// if no trailing [], then arg is set to 0, else arg is between []
@ -324,23 +324,23 @@ void DumpLocal::parse_fields(int narg, char **arg)
char *ptr = strchr(suffix,'[');
if (ptr) {
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Invalid attribute in dump local command");
argindex[i] = atoi(ptr+1);
*ptr = '\0';
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Invalid attribute in dump local command");
argindex[i] = atoi(ptr+1);
*ptr = '\0';
} else argindex[i] = 0;
n = modify->find_fix(suffix);
if (n < 0) error->all(FLERR,"Could not find dump local fix ID");
if (modify->fix[n]->local_flag == 0)
error->all(FLERR,"Dump local fix does not compute local info");
error->all(FLERR,"Dump local fix does not compute local info");
if (argindex[i] == 0 && modify->fix[n]->size_local_cols > 0)
error->all(FLERR,"Dump local fix does not compute local vector");
error->all(FLERR,"Dump local fix does not compute local vector");
if (argindex[i] > 0 && modify->fix[n]->size_local_cols == 0)
error->all(FLERR,"Dump local fix does not compute local array");
if (argindex[i] > 0 &&
argindex[i] > modify->fix[n]->size_local_cols)
error->all(FLERR,"Dump local fix vector is accessed out-of-range");
error->all(FLERR,"Dump local fix does not compute local array");
if (argindex[i] > 0 &&
argindex[i] > modify->fix[n]->size_local_cols)
error->all(FLERR,"Dump local fix vector is accessed out-of-range");
field2index[i] = add_fix(suffix);
delete [] suffix;
@ -364,7 +364,7 @@ int DumpLocal::add_compute(char *id)
for (icompute = 0; icompute < ncompute; icompute++)
if (strcmp(id,id_compute[icompute]) == 0) break;
if (icompute < ncompute) return icompute;
id_compute = (char **)
memory->srealloc(id_compute,(ncompute+1)*sizeof(char *),"dump:id_compute");
delete [] compute;
@ -389,7 +389,7 @@ int DumpLocal::add_fix(char *id)
for (ifix = 0; ifix < nfix; ifix++)
if (strcmp(id,id_fix[ifix]) == 0) break;
if (ifix < nfix) return ifix;
id_fix = (char **)
memory->srealloc(id_fix,(nfix+1)*sizeof(char *),"dump:id_fix");
delete [] fix;