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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3598 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-12-21 21:21:22 +00:00
parent 87ba3c6eff
commit 4900c3d0c0
14 changed files with 57 additions and 66 deletions
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14
src/dump_xyz.cpp
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@ -155,7 +155,7 @@ int DumpXYZ::pack()
/* ---------------------------------------------------------------------- */
void DumpXYZ::write_data(int n, double *buf)
void DumpXYZ::write_data(int n, double *mybuf)
{
// for group = all, spread buf atom coords into global arrays
// if last chunk of atoms in this snapshot, write global arrays to file
@ -165,12 +165,12 @@ void DumpXYZ::write_data(int n, double *buf)
int m = 0;
for (int i = 0; i < n; i++) {
tag = static_cast<int> (buf[m]) - 1;
types[tag] = static_cast<int> (buf[m+1]);
tag = static_cast<int> (mybuf[m]) - 1;
types[tag] = static_cast<int> (mybuf[m+1]);
j = 3*tag;
coords[j++] = buf[m+2];
coords[j++] = buf[m+3];
coords[j] = buf[m+4];
coords[j++] = mybuf[m+2];
coords[j++] = mybuf[m+3];
coords[j] = mybuf[m+4];
m += size_one;
}
@ -186,7 +186,7 @@ void DumpXYZ::write_data(int n, double *buf)
int m = 0;
for (int i = 0; i < n; i++) {
fprintf(fp,format,
static_cast<int> (buf[m+1]),buf[m+2],buf[m+3],buf[m+4]);
static_cast<int> (mybuf[m+1]),mybuf[m+2],mybuf[m+3],mybuf[m+4]);
m += size_one;
}
}