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From: | Felix Höfling |
Subject: | Re: [h5md-user] Additional properties of particles |
Date: | Fri, 07 Nov 2014 10:38:30 +0100 |
User-agent: | Opera Mail/12.16 (Linux) |
Am 07.11.2014, 10:34 Uhr, schrieb Felix Höfling <address@hidden>:
Suggestions: store a list of particle indices (better: IDs) for each residual. This makes it easy to look up all particles of given residual, however the inverse would be inefficient.H5MD root \-- residuals \-- (name) \-- particle_subgroup1 \-- particle_subgroup2"particle_subgroupX" are H5MD elements, their names match the corresponding subgroups in particle/ and the contents is a list of IDs (or just the array index if "id" is not present).
This may be a related proposal: http://nongnu.org/h5md/proposals/0101_particles_and_tuples_lists.html#storage-of-a-list-of-particles Felix
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