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correct dims inversion of natoms and dimension

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Pierre de Buyl
2014-08-12 12:44:50 +02:00
committed by Pierre de Buyl
parent 1e82a1905d
commit ebfb09b17d
1 changed files with 3 additions and 4 deletions
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7
src/USER-H5MD/dump_h5md.cpp
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@ -94,12 +94,11 @@ void DumpH5MD::openfile()
strcpy(group_name, group->names[igroup]);
particles_data = h5md_create_particles_group(datafile, group_name);
delete [] group_name;
dims[0] = domain->dimension;
dims[1] = count();
dims[0] = natoms;
dims[1] = domain->dimension;
particles_data.position = h5md_create_time_data(particles_data.group, "position", 2, dims, H5T_NATIVE_DOUBLE, NULL);
h5md_create_box(&particles_data, dims[0], boundary, true, NULL);
h5md_create_box(&particles_data, dims[1], boundary, true, NULL);
}
for (int i=0; i<3; i++) {
delete [] boundary[i];
}