Open garymacindoe opened 9 years ago
Python has an H5MD implementation that seems to have a sane design (there is a C implementation by the same author which doesn't). It wraps the pyh5 library which in turn wraps HDF5 (using the C interface so it supports MPI-IO). I intend to do the same here (implement H5MD for C++ directly over the C interface for HDF5) but it will be a lot of work to wrap the C interface directly rather than using the C++ API.
H5MD is a specification for an output format used for storing results from molecular dynamics simulations. It describes the layout (groups/datasets and attributes) within an HDF5 file.
The API needs to support MPI.