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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3545 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-12-16 16:58:28 +00:00
parent 2472cdc89d
commit 5a1047d3cf
1 changed files with 1 additions and 31 deletions
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32
src/fix_ave_atom.cpp
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@ -26,7 +26,7 @@
using namespace LAMMPS_NS;
enum{X,XU,V,F,COMPUTE,FIX,VARIABLE};
enum{X,V,F,COMPUTE,FIX,VARIABLE};
#define INVOKED_PERATOM 8
@ -65,16 +65,6 @@ FixAveAtom::FixAveAtom(LAMMPS *lmp, int narg, char **arg) :
which[nvalues] = X;
argindex[nvalues++] = 2;
} else if (strcmp(arg[iarg],"xu") == 0) {
which[nvalues] = XU;
argindex[nvalues++] = 0;
} else if (strcmp(arg[iarg],"yu") == 0) {
which[nvalues] = XU;
argindex[nvalues++] = 1;
} else if (strcmp(arg[iarg],"zu") == 0) {
which[nvalues] = XU;
argindex[nvalues++] = 2;
} else if (strcmp(arg[iarg],"vx") == 0) {
which[nvalues] = V;
argindex[nvalues++] = 0;
@ -315,26 +305,6 @@ void FixAveAtom::end_of_step()
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit) array[i][m] += x[i][j];
} else if (which[m] == XU) {
double **x = atom->x;
int *image = atom->image;
if (j == 0) {
double xprd = domain->xprd;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
array[i][m] += x[i][0] + ((image[i] & 1023) - 512) * xprd;
} else if (j == 1) {
double yprd = domain->yprd;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
array[i][m] += x[i][1] + ((image[i] >> 10 & 1023) - 512) * yprd;
} else {
double zprd = domain->zprd;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit)
array[i][m] += x[i][2] + ((image[i] >> 20) - 512) * zprd;
}
} else if (which[m] == V) {
double **v = atom->v;
for (i = 0; i < nlocal; i++)