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)
  

v0.8.29

CellListMap v0.8.29

Diff since v0.8.28

• Documentation improvements and code organization only.

v0.8.28

CellListMap v0.8.28

Diff since v0.8.27

New features:

• Support matrices as input coordinates in the PeriodicSystems interface.

v0.8.27

CellListMap v0.8.27

Diff since v0.8.26

• Merge cell ilsts in parallel. May improve scaling for very large systems in highly parallel computers.
• Note: the CellList is now a mutable struct (it was immutable). This was not part of the API, but it is worth mentioning.

Merged pull requests:

• Merge cell lists in parallel. (#98) (@lmiq)

Closed issues:

• Computing virial and pressure (#96)
• Removing periodic boundary conditions (#97)

v0.8.26

CellListMap v0.8.26

Diff since v0.8.25

v0.8.25

CellListMap v0.8.25

Diff since v0.8.24

v0.8.24

CellListMap v0.8.24

Diff since v0.8.23

v0.8.23

• fixed additional doc typos

v0.8.23

fixed some doc typos

Full Changelog: v0.8.23+docs1...v0.8.23+docs2