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[ESPResSo-users] Writing and reading with H5MD

From: Clemens Jochum
Subject: [ESPResSo-users] Writing and reading with H5MD
Date: Wed, 1 Mar 2017 14:46:14 +0100
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:45.0) Gecko/20100101 Thunderbird/45.7.0

Dear all,

according to the userguide initializing a H5MD file works as follows:

    from espressomd import h5md
    system = espressomd.system()
    h5 = h5md.h5md("File.h5",system)

However, the module "h5md" is not found by the pypresso interpreter. It is also stated that the sample script "" shows the usage of H5MD files. However, that sample file does not exist.

According to a different sample script called "", H5MD format can be used like this:

    from import h5md
    h5_file = h5md.H5md(filename="sample.h5", write_pos=True, write_vel=True, ... )

This works, but it is not stated anywhere how to read from the H5MD file. In particular, I want to load the particle coordinates to visualize some snapshots of my system's trajectory.

Does anyone know how to do that? Or can anyone point me towards literature, how to use the H5MD format properly in espresso?

Many thanks and best regards,


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