v0.7.9 - 2019-05-24
- Change temperature to drop down list
- Update current file when any button is changed
- Support dynamics initialised without a molecule
- Pass correct displacements to relaxation instances
- Simplify LastMolecularRelaxation
v0.7.8 - 2019-05-11
- Support multiple crystal types in interactive configuration
- Use threshold_relaxation for exponential relaxations
- Compute threshold_relaxation properly
- Prevent exponential relaxation from retuning negative numbers
- Reduce the range of the msd relaxation
- Rename argument of threshold_relaxation to decay
v0.7.7 - 2019-05-07
- Typo in meta.yaml defining dependencies
- Calculation of molecular relaxations in relaxtion
- Command line options for serial and parallel processing
- Create distance property for Dynamics and Relaxation
- Allow for dynamic resizing of command line
- Implement calculation of wave_number from positions
- Enable logging to an output file
- Check steps_max for None not Truthy
- Further error checking and handling of timesteps
- Use distance instead of wave_number for relaxations
- Update urllib3 dependency to fix CVE-2019-11324
- Typo in tqdm arguments
- Initialise tqdm lock for multiprocessing
- Set the wave-number when analysing trajectories
- Handle wave-number properly in dynamics and relaxations
- Split processing of gsd files
- Test parallel and serial computation appropriately
- Print output of command when exit code is incorrect
v0.7.6 - 2019-04-16
- Update documentation requirements
- Update dependencies including pyyaml
- Initialise Dynamics and Relaxation from a Frame
- Raise exceptions in preference of assertions
- Add progress bars to processing files
- Check for malformed input files at start of loop
- Continue to process dynamics when encontering an error
- Set default log level to warning
- Force freud and numpy to only use a single thread
- Gracefully handle corrupted trajectory frame
- Always output processing time
- remove checks with assertions
- Use dict type to simplify processing files
v0.7.5 - 2019-04-04
- Update numpy in conda environment
- Improve help string for molecular relaxations
- Include flag for the number of cpus to use.
- Define relaxations as a function of the wave-number
- Optimise calculation of intermediate scattering function
v0.7.4 - 2019-04-03
- Include a requirements.txt file for building docs
- Run pylint on test directory when running make test
- Update tests to pass pylint linting
- Ignore ungrouped imports with pylint
- Add freud to whitelisted pylint packages
- No documentation of special members
- Implement calculating the intermediate scattering function
- Standardise the conversion to a freud Box class
- remove unsupported assignment operation from relaxation
- Copy displacements array to numpy before editing
v0.7.3 - 2019-04-02
- Build documentation on travis-ci
- Pin numpy version
- Add python 3.7 to conda_build_config
- Fix warnings about dependency specifications in meta.yaml
- Use local install of pylint for pre-commit
- Add makefile rule for building docs
- Include requirements for building documentation
- Fix indentation of .pre-commit-config.yaml
- Improve display of dynamics class in docs
- Update modules in project documentation
- Use pip for testing on travis
- Pylint issues raised in CI
- Include black in dev requirements of setup.py
- Use the xenial distribution on travis
- typo in docs_requires for setup.py
- Call relative_distances function correctly in tests
- Fix unused imports and whitespace issues
- Version 1.0 of freud changes the interface for neighbour distances
v0.7.2 - 2019-03-19
- Set specific pylint version in pre-commit config
- Include pre_commit in conda environment
- Add pylint to pre-commit checks
- Ignore interactive config in coverage reports (#56)
- Update pre-commit configuration
- Remove unused code from interactive_config
- Update play/pause button to work with bokeh 1.0
- Update scikit-learn to 0.20 in environment.yml
- Add docstring to interactive configuration
- Output timestep as a comma separated integer
- Improve debug logging of interactive_config
- Update interactive slider range on loading file
- Shown variables reflect the available variables
- Implement verbose flag for figure subcommand
- Fix use of formatting in raising of exception.
- Variables not defined and checking for None
- Load the dump files instead of all gsd files
- No infinite loops in reading input file
- Change name of the interacctive_logger
v0.7.1 - 2019-03-06
- Disable calculation of displacement across images
- Disable unused argument for translational_displacement
- Sort imports and format with black
- Spelling mistakes in initial
- Increase max value of displacement
- Clean up dynamics tests using HoomdFrame
v0.7.0 - 2019-03-04
- Remove nonexistant models files from MANIFEST.in
- Remove empty .gitmodules file
- Remove scikit learn models from package
- Update to latest scikit learn (#58)
- Apply pep8 naming conventions to dynamics module (#65)
- Handle pressure and temperature at any position in filename (#68)
- Specify number of threads for parallel processing function
- Log quantities of interest when processing files (#45)
- Use INFO log level for cli status update (#72)
- Compute dynamics keeping track of images (#71)
- Implement image in the Frame classes
- Support images in computing dynamics
- Allow displacement over multiple cells (#71)
- Ability to specify custom models on command line
- Add keyframe-interval flag to cli
- Always return a float from structural_relaxation
- Remove machine learning models from tests
- Satiate pylint
- Format tests using black
v0.6.10 - 2019-02-28
- Add conda-forge repo to travis for build phase
- Generate changelog using git-chglog
- Handle diffusion constant where there is no relaxation
- Allow any ordering of arguments in a conditional
v0.6.9 - 2019-02-25
- closer specification of version numbers
- Run updated black on source files
- fix environment activation on travis
- Remove the conda environment lock mechanism
- The results from Rowan appear to have changed in an updates
- Use the pypi name for freud in setup.py
- Use appropriate mypy type hinting for interactive_config
- Handle errors when running with no crystal value
- Include xy, xz, and yz components to box in lammps frame
- Remove error messages about Box
- Align simulation steps with analysis steps
- Support thermodynamics files in get_filename_vars function
- Format interactive_config using black
v0.6.8 - 2018-10-16
v0.6.7 - 2018-10-16
v0.6.6 - 2018-09-25
v0.6.5 - 2018-09-23
v0.6.4 - 2018-09-21
v0.6.3 - 2018-09-21
v0.6.2 - 2018-09-13
v0.6.1 - 2018-09-12
v0.6.0 - 2018-09-10
v0.5.6 - 2018-08-03
v0.5.5 - 2018-07-27
v0.5.4 - 2018-06-28
v0.5.3 - 2018-06-13
v0.5.2 - 2018-06-10
v0.5.1 - 2018-06-08
v0.5.0 - 2018-06-08
v0.4.12 - 2018-03-31
- variables from filename lost in rebase
- make gsdFrame and lammpsFrame a class
v0.4.11 - 2018-03-21
v0.4.10 - 2018-03-21
v0.4.9 - 2018-02-23
v0.4.8 - 2018-02-23
- Formatting - spaces around kwargs with type annotations
v0.4.7 - 2018-02-23
v0.4.6 - 2018-02-07
0.4.5 - 2018-01-03
v0.4.4.post6 - 2018-01-02
v0.4.4.post5 - 2018-01-02
0.4.4.post4 - 2018-01-02
0.4.4.post3 - 2018-01-02
0.4.4.post2 - 2018-01-02
0.4.4.post1 - 2018-01-02
v0.4.4 - 2018-01-02
0.4.3 - 2017-12-19
0.4.2 - 2017-12-14
0.4.1 - 2017-12-13
0.4.0 - 2017-12-07
0.3.18 - 2017-12-06
0.3.17 - 2017-11-29
0.3.16 - 2017-11-21
0.3.15 - 2017-11-21
0.3.14 - 2017-11-21
0.3.13 - 2017-11-10
0.3.12 - 2017-11-08
0.3.10post12 - 2017-11-06
0.3.11 - 2017-11-06
0.3.10post11 - 2017-11-06
0.3.10post9 - 2017-11-06
0.3.10post5 - 2017-11-06
0.3.10post2 - 2017-11-06
0.3.10post1 - 2017-11-06
0.3.10 - 2017-11-06
0.3.9 - 2017-11-06
0.3.8 - 2017-11-02
0.3.7 - 2017-10-28
0.3.6 - 2017-10-18
0.3.5 - 2017-10-17
0.3.4 - 2017-10-09
0.3.3 - 2017-10-05
0.3.2 - 2017-10-01
0.3.1 - 2017-09-29
0.3.0 - 2017-09-22
0.2.9 - 2017-09-19
0.2.8 - 2017-09-13
0.2.7 - 2017-09-12
- Compare current step with frame step
0.2.6 - 2017-09-09
0.2.5 - 2017-09-08
0.2.4 - 2017-09-07
0.2.3 - 2017-09-06
- No excess calls to the _enqueue function