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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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76
src/dump_custom.cpp
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@ -69,8 +69,8 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
// computes, fixes, variables which the dump accesses
field2index = (int *) memory->smalloc(nfield*sizeof(int),"dump:field2index");
argindex = (int *) memory->smalloc(nfield*sizeof(int),"dump:argindex");
memory->create(field2index,nfield,"dump:field2index");
memory->create(argindex,nfield,"dump:argindex");
ncompute = 0;
id_compute = NULL;
@ -126,13 +126,13 @@ DumpCustom::~DumpCustom()
{
delete [] pack_choice;
delete [] vtype;
memory->sfree(field2index);
memory->sfree(argindex);
memory->destroy(field2index);
memory->destroy(argindex);
delete [] idregion;
memory->sfree(thresh_array);
memory->sfree(thresh_op);
memory->sfree(thresh_value);
memory->destroy(thresh_array);
memory->destroy(thresh_op);
memory->destroy(thresh_value);
for (int i = 0; i < ncompute; i++) delete [] id_compute[i];
memory->sfree(id_compute);
@ -145,11 +145,11 @@ DumpCustom::~DumpCustom()
for (int i = 0; i < nvariable; i++) delete [] id_variable[i];
memory->sfree(id_variable);
delete [] variable;
for (int i = 0; i < nvariable; i++) memory->sfree(vbuf[i]);
for (int i = 0; i < nvariable; i++) memory->destroy(vbuf[i]);
delete [] vbuf;
memory->sfree(choose);
memory->sfree(dchoose);
memory->destroy(choose);
memory->destroy(dchoose);
for (int i = 0; i < size_one; i++) delete [] vformat[i];
delete [] vformat;
@ -327,16 +327,14 @@ int DumpCustom::count()
if (nlocal > maxlocal) {
maxlocal = atom->nmax;
memory->sfree(choose);
memory->sfree(dchoose);
choose = (int *) memory->smalloc(maxlocal*sizeof(int),"dump:choose");
dchoose = (double *)
memory->smalloc(maxlocal*sizeof(double),"dump:dchoose");
memory->destroy(choose);
memory->destroy(dchoose);
memory->create(choose,maxlocal,"dump:choose");
memory->create(dchoose,maxlocal,"dump:dchoose");
for (i = 0; i < nvariable; i++) {
memory->sfree(vbuf[i]);
vbuf[i] = (double *)
memory->smalloc(maxlocal*sizeof(double),"dump:vbuf");
memory->destroy(vbuf[i]);
memory->create(vbuf[i],maxlocal,"dump:vbuf");
}
}
@ -1215,9 +1213,9 @@ int DumpCustom::modify_param(int narg, char **arg)
if (narg < 2) error->all("Illegal dump_modify command");
if (strcmp(arg[1],"none") == 0) {
if (nthresh) {
memory->sfree(thresh_array);
memory->sfree(thresh_op);
memory->sfree(thresh_value);
memory->destroy(thresh_array);
memory->destroy(thresh_op);
memory->destroy(thresh_value);
thresh_array = NULL;
thresh_op = NULL;
thresh_value = NULL;
@ -1230,15 +1228,9 @@ int DumpCustom::modify_param(int narg, char **arg)
// grow threshhold arrays
thresh_array = (int *)
memory->srealloc(thresh_array,(nthresh+1)*sizeof(int),
"dump:thresh_array");
thresh_op = (int *)
memory->srealloc(thresh_op,(nthresh+1)*sizeof(int),
"dump:thresh_op");
thresh_value = (double *)
memory->srealloc(thresh_value,(nthresh+1)*sizeof(double),
"dump:thresh_value");
memory->grow(thresh_array,nthresh+1,"dump:thresh_array");
memory->grow(thresh_op,(nthresh+1),"dump:thresh_op");
memory->grow(thresh_value,(nthresh+1),"dump:thresh_value");
// set attribute type of threshhold
// customize by adding to if statement
@ -1320,12 +1312,8 @@ int DumpCustom::modify_param(int narg, char **arg)
else if (strncmp(arg[1],"c_",2) == 0) {
thresh_array[nthresh] = COMPUTE;
field2index = (int *) memory->srealloc(field2index,
(nfield+nthresh+1)*sizeof(int),
"dump:field2index");
argindex = (int *) memory->srealloc(argindex,
(nfield+nthresh+1)*sizeof(int),
"dump:argindex");
memory->grow(field2index,nfield+nthresh+1,"dump:field2index");
memory->grow(argindex,nfield+nthresh+1,"dump:argindex");
int n = strlen(arg[1]);
char *suffix = new char[n];
strcpy(suffix,&arg[1][2]);
@ -1362,12 +1350,8 @@ int DumpCustom::modify_param(int narg, char **arg)
} else if (strncmp(arg[1],"f_",2) == 0) {
thresh_array[nthresh] = FIX;
field2index = (int *) memory->srealloc(field2index,
(nfield+nthresh+1)*sizeof(int),
"dump:field2index");
argindex = (int *) memory->srealloc(argindex,
(nfield+nthresh+1)*sizeof(int),
"dump:argindex");
memory->grow(field2index,nfield+nthresh+1,"dump:field2index");
memory->grow(argindex,nfield+nthresh+1,"dump:argindex");
int n = strlen(arg[1]);
char *suffix = new char[n];
strcpy(suffix,&arg[1][2]);
@ -1403,12 +1387,8 @@ int DumpCustom::modify_param(int narg, char **arg)
} else if (strncmp(arg[1],"v_",2) == 0) {
thresh_array[nthresh] = VARIABLE;
field2index = (int *) memory->srealloc(field2index,
(nfield+nthresh+1)*sizeof(int),
"dump:field2index");
argindex = (int *) memory->srealloc(argindex,
(nfield+nthresh+1)*sizeof(int),
"dump:argindex");
memory->grow(field2index,nfield+nthresh+1,"dump:field2index");
memory->grow(argindex,nfield+nthresh+1,"dump:argindex");
int n = strlen(arg[1]);
char *suffix = new char[n];
strcpy(suffix,&arg[1][2]);