From b516393fc6d42129ce1ea1ca3d993e489e5a40f1 Mon Sep 17 00:00:00 2001 From: Pierre de Buyl Date: Wed, 20 Aug 2014 17:31:12 +0200 Subject: [PATCH] Remove 'every' check for image, include in position check --- src/USER-H5MD/dump_h5md.cpp | 35 ++++++++++++++++++----------------- 1 file changed, 18 insertions(+), 17 deletions(-) diff --git a/src/USER-H5MD/dump_h5md.cpp b/src/USER-H5MD/dump_h5md.cpp index 4e8d87d431..13ada3c840 100644 --- a/src/USER-H5MD/dump_h5md.cpp +++ b/src/USER-H5MD/dump_h5md.cpp @@ -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; j0 && update->ntimestep % (every_image*every_dump) == 0) + if (every_position>0 && update->ntimestep % (every_position*every_dump) == 0) { + for (int j=0; j0) for (int j=0; j0) + 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); }