braceal / molecules

Machine learning for molecular dynamics.
MIT License
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Sort indeces in increasing order for HDF5 #93

Open hjjvandam opened 1 year ago

hjjvandam commented 1 year ago

HDF5 insists that the indeces be in increasing order when retrieving data. However, when Python selects a random subset of indeces the order is not guaranteed causing the data retrieval to fail. Sorting the indeces fixes this problem.