v0.7.8

CellListMap v0.7.8

Diff since v0.7.7

v0.7.7

CellListMap v0.7.7

Diff since v0.7.5

Merged pull requests:

• release 0.7.6 (#54) (@lmiq)

v0.7.6

CellListMap v0.7.6

Diff since v0.7.5

v0.7.5

CellListMap v0.7.5

Diff since v0.7.4

v0.7.4

CellListMap v0.7.4

Diff since v0.7.3

v0.7.3

CellListMap v0.7.3

Diff since v0.7.2

v0.7.2

CellListMap v0.7.2

Diff since v0.7.1

v0.7.1

CellListMap v0.7.1

Diff since v0.7.0

Closed issues:

• Pair counts changing depending on number of threads (#47)

v0.7.0

What's Changed

This is a breaking change, because these interfaces have changed:

• Type (units, duals, autodiff) propagate automatically. Thus, the strip_value function and the type parameter for Box where removed.

• Parallel code that used nthreads() to define output_threaded preallocated vectors might brake, because the number of batches of the mapping function may be different, and must be set by the user or retrieved with nbatches(cl).

• The neighbourlist function was renamed to neighborlist (without the u).

New features

• Automatic generic type propagation
• Control over the number of batches used for parallel computation of cell lists and mapping (independently)
• Added the map_pairwise alias for non-mutating functions.
• Added heuristic determination of the number of parallel batches, to improve performance for large systems.
• Use less memory in parallel runs to compute the cell lists. This improves latency when using many threads (although the performance for small systems may be slightly worse).
• Added particles_per_batch option to the constructor of AuxThreaded, to define the size of the batch.
• Improved the reduction algorithm in neighborlists.
• Use asynchronous spawn for parallelization, reducing issues with non-homogeneous tasks.
• Added docs on how to call it from python using juliacall.

Full Changelog: v0.6.6...v0.7.0

v0.6.7

CellListMap v0.6.7

Diff since v0.6.6

Closed issues:

• Type declarations of Box (#44)