v0.8.32

CellListMap v0.8.32

Diff since v0.8.31

• allow warning suppression

v0.8.31

CellListMap v0.8.31

Diff since v0.8.30

• define AbstractPeriodicSystem for legacy ComplexMixtures support.

Merged pull requests:

• Update jldoctests, create new ones. Apply filters. (#99) (@lmiq)

Closed issues:

• Covert example to doc test (#100)

v0.9.4

CellListMap v0.9.4

Diff since v0.9.3

• add tests, increase code coverage, fix some improbable reaching bugs.

v0.9.3

• Documentation updates.

v0.9.3

CellListMap v0.9.3

Diff since v0.9.2

New feature:

• Support of integer cutoff in neighborlist function (previously this returned an error). The distances in the neighbor lists are returned in Float64 in this case. Otherwise the type of the cutoff.

Other changes:

• Add more tests to increase coverage.

v0.9.2

• fixed some links in the docs Help! section

v0.9.2

CellListMap v0.9.2

Diff since v0.9.1

• Some documentation and docstring improvements, organized and added some tests.

Merged pull requests:

• Update jldoctests, create new ones. Apply filters. (#99) (@lmiq)

v0.9.1

CellListMap v0.9.1

Diff since v0.9.0

• Do not export functions declared public (caused error on Julia nightly). And they are not to be exported, indeed.

v0.9.0

CellListMap v0.9.0

Diff since v0.8.30

Breaking changes:

• Removed the PeriodicSystems module, and convert the structure interface to ParticleSystem.

To update you package:

1. Replace using CellListMap.PeriodicSystems by using CellListMap.
2. Replace all occurrences of PeriodicSystems (plural) by CellListMap (if reducer!, copy_output and reset_output! were defined).
3. Replace all occurrences of PeriodicSystem (singular) by ParticleSystem.

v0.8.30

CellListMap v0.8.30

Diff since v0.8.29

New features:

• support of unitcell = nothing for non-periodic systems in the high-level PeriodicSystems interface.

Breaking changes

This version, v0.8.30 retains compatibility through auxiliary functions, but the interface of the PeriodicSystems was changed.
A warning is printed on package loading.

• The PeriodicSystem interface was renamed ParticleSystem

• The PeriodicSystems submodule is going to be deprecated. Just load CellListMap.

    Interface changes in v0.8.30, for `PeriodicSystems` submodule of CellListMap.
  
    From v0.8.30 on, the `PeriodicSystems` submodule is deprecated and will be removed in future versions.
    (code that works in v0.8.XX series will work in v0.8.30 through compatibility functions).
  
    The same functionality can be achieved by using directly the `CellListMap` module and the 
    `ParticleSystem` data structure. 
  
    To migrate to the new interface, replace the code:
  
    using CellListMap.PeriodicSystems  => using CellListMap
    system = PeriodicSystem(...)       => system = ParticleSystem(...)
    UpdatePeriodicSystem!(system)      => UpdateParticleSystem!(system)