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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2014-01-17 18:43:09 +00:00
parent 961be6ee48
commit bad19033d0
172 changed files with 2523 additions and 2184 deletions
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38
src/dump_atom.cpp
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@ -55,8 +55,8 @@ void DumpAtom::init_style()
strcat(format,"\n");
} else {
char *str;
if (image_flag == 0) str = (char *) "%d %d %g %g %g";
else str = (char *) "%d %d %g %g %g %d %d %d";
if (image_flag == 0) str = (char *) TAGINT_FORMAT " %d %g %g %g";
else str = (char *) TAGINT_FORMAT " %d %g %g %g %d %d %d";
int n = strlen(str) + 2;
format = new char[n];
strcpy(format,str);
@ -145,7 +145,7 @@ void DumpAtom::write_header(bigint ndump)
/* ---------------------------------------------------------------------- */
void DumpAtom::pack(int *ids)
void DumpAtom::pack(tagint *ids)
{
(this->*pack_choice)(ids);
}
@ -237,11 +237,11 @@ void DumpAtom::header_item_triclinic(bigint ndump)
/* ---------------------------------------------------------------------- */
void DumpAtom::pack_scale_image(int *ids)
void DumpAtom::pack_scale_image(tagint *ids)
{
int m,n;
int *tag = atom->tag;
tagint *tag = atom->tag;
int *type = atom->type;
imageint *image = atom->image;
int *mask = atom->mask;
@ -269,11 +269,11 @@ void DumpAtom::pack_scale_image(int *ids)
/* ---------------------------------------------------------------------- */
void DumpAtom::pack_scale_noimage(int *ids)
void DumpAtom::pack_scale_noimage(tagint *ids)
{
int m,n;
int *tag = atom->tag;
tagint *tag = atom->tag;
int *type = atom->type;
int *mask = atom->mask;
double **x = atom->x;
@ -297,11 +297,11 @@ void DumpAtom::pack_scale_noimage(int *ids)
/* ---------------------------------------------------------------------- */
void DumpAtom::pack_scale_image_triclinic(int *ids)
void DumpAtom::pack_scale_image_triclinic(tagint *ids)
{
int m,n;
int *tag = atom->tag;
tagint *tag = atom->tag;
int *type = atom->type;
imageint *image = atom->image;
int *mask = atom->mask;
@ -328,11 +328,11 @@ void DumpAtom::pack_scale_image_triclinic(int *ids)
/* ---------------------------------------------------------------------- */
void DumpAtom::pack_scale_noimage_triclinic(int *ids)
void DumpAtom::pack_scale_noimage_triclinic(tagint *ids)
{
int m,n;
int *tag = atom->tag;
tagint *tag = atom->tag;
int *type = atom->type;
int *mask = atom->mask;
double **x = atom->x;
@ -355,11 +355,11 @@ void DumpAtom::pack_scale_noimage_triclinic(int *ids)
/* ---------------------------------------------------------------------- */
void DumpAtom::pack_noscale_image(int *ids)
void DumpAtom::pack_noscale_image(tagint *ids)
{
int m,n;
int *tag = atom->tag;
tagint *tag = atom->tag;
int *type = atom->type;
imageint *image = atom->image;
int *mask = atom->mask;
@ -383,11 +383,11 @@ void DumpAtom::pack_noscale_image(int *ids)
/* ---------------------------------------------------------------------- */
void DumpAtom::pack_noscale_noimage(int *ids)
void DumpAtom::pack_noscale_noimage(tagint *ids)
{
int m,n;
int *tag = atom->tag;
tagint *tag = atom->tag;
int *type = atom->type;
int *mask = atom->mask;
double **x = atom->x;
@ -422,7 +422,7 @@ int DumpAtom::convert_image(int n, double *mybuf)
}
offset += sprintf(&sbuf[offset],format,
static_cast<int> (mybuf[m]),
static_cast<tagint> (mybuf[m]),
static_cast<int> (mybuf[m+1]),
mybuf[m+2],mybuf[m+3],mybuf[m+4],
static_cast<int> (mybuf[m+5]),
@ -448,7 +448,7 @@ int DumpAtom::convert_noimage(int n, double *mybuf)
}
offset += sprintf(&sbuf[offset],format,
static_cast<int> (mybuf[m]),
static_cast<tagint> (mybuf[m]),
static_cast<int> (mybuf[m+1]),
mybuf[m+2],mybuf[m+3],mybuf[m+4]);
m += size_one;
@ -480,7 +480,7 @@ void DumpAtom::write_lines_image(int n, double *mybuf)
int m = 0;
for (int i = 0; i < n; i++) {
fprintf(fp,format,
static_cast<int> (mybuf[m]), static_cast<int> (mybuf[m+1]),
static_cast<tagint> (mybuf[m]), static_cast<int> (mybuf[m+1]),
mybuf[m+2],mybuf[m+3],mybuf[m+4], static_cast<int> (mybuf[m+5]),
static_cast<int> (mybuf[m+6]), static_cast<int> (mybuf[m+7]));
m += size_one;
@ -494,7 +494,7 @@ void DumpAtom::write_lines_noimage(int n, double *mybuf)
int m = 0;
for (int i = 0; i < n; i++) {
fprintf(fp,format,
static_cast<int> (mybuf[m]), static_cast<int> (mybuf[m+1]),
static_cast<tagint> (mybuf[m]), static_cast<int> (mybuf[m+1]),
mybuf[m+2],mybuf[m+3],mybuf[m+4]);
m += size_one;
}