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Remove 'every' check for image, include in position check

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This commit is contained in:
Pierre de Buyl
2014-08-20 17:31:12 +02:00
committed by Pierre de Buyl
parent ae115b3fd3
commit b516393fc6
1 changed files with 18 additions and 17 deletions
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35
src/USER-H5MD/dump_h5md.cpp
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@ -178,11 +178,11 @@ void DumpH5MD::pack(tagint *ids)
buf[m++] = (x[i][0] + ix * xprd);
buf[m++] = (x[i][1] + iy * yprd);
if (dim>2) buf[m++] = (x[i][2] + iz * zprd);
}
if (every_image>0 && update->ntimestep % (every_image*every_dump) == 0) {
buf[m++] = ix;
buf[m++] = iy;
if (dim>2) buf[m++] = iz;
if (every_image>0) {
buf[m++] = ix;
buf[m++] = iy;
if (dim>2) buf[m++] = iz;
}
}
ids[n++] = tag[i];
}
@ -197,11 +197,11 @@ void DumpH5MD::pack(tagint *ids)
buf[m++] = x[i][0];
buf[m++] = x[i][1];
if (dim>2) buf[m++] = x[i][2];
}
if (every_image>0 && update->ntimestep % (every_image*every_dump) == 0) {
buf[m++] = ix;
buf[m++] = iy;
if (dim>2) buf[m++] = iz;
if (every_image>0) {
buf[m++] = ix;
buf[m++] = iy;
if (dim>2) buf[m++] = iz;
}
}
ids[n++] = tag[i];
}
@ -219,14 +219,15 @@ void DumpH5MD::write_data(int n, double *mybuf)
int k = dim*ntotal;
int k_image = dim*ntotal;
for (int i = 0; i < n; i++) {
if (every_position>0 && update->ntimestep % (every_position*every_dump) == 0)
for (int j=0; j<dim; j++) {
dump_position[k++] = mybuf[m++];
}
if (every_image>0 && update->ntimestep % (every_image*every_dump) == 0)
if (every_position>0 && update->ntimestep % (every_position*every_dump) == 0) {
for (int j=0; j<dim; j++) {
dump_position[k++] = mybuf[m++];
}
if (every_image>0)
for (int j=0; j<dim; j++) {
dump_image[k_image++] = mybuf[m++];
}
}
ntotal++;
}
@ -267,8 +268,8 @@ void DumpH5MD::write_frame()
edges[1] = boxyhi - boxylo;
edges[2] = boxzhi - boxzlo;
h5md_append(particles_data.box_edges, edges, local_step, local_time);
if (every_image>0)
h5md_append(particles_data.image, dump_image, local_step, local_time);
}
if (every_image>0 && local_step % (every_image*every_dump) == 0)
h5md_append(particles_data.image, dump_image, local_step, local_time);
}