v2.4.0

ComplexMixtures v2.4.0

Diff since v2.3.0

New features

• Add low_memory option to mddf and coordination_number functions. With low_memory = true, the parallelization will be performed at the CellListMap level (and not at the frame level), not requiring the storing of nthreads copies of the result data structure. This allows running the computations for very large systems in simpler hardware, at the expense of performance.

Bug fixes

• The coordination_number function was returning zeros when used directly to compute the data. This is fixed now.

Other

• New and better error messages.

Merged pull requests:

• add low_memory option (#40) (@lmiq)