CHANGELOG.rst

Changelog

All notable changes to this project will be documented in this file.

Unreleased

Features

• DIM with retardation and PBC
• DIM/QM with PySCF

Fixes

• AtomParam 'rad' in atomic units

[0.8.0] - 2022-01-21

Added

• Use NumExpr to help speed up some array operations
• DIM with retardation (Meredith's work)

Fixes

• fixed analyzer method for molecular nanoparticles (ndim = 0)
• Removed CG solver as an option (incorrect results)

[0.7.5] - 2022-01-10

Added

• Included use of numpy for simple shared-memory parallelization

[0.7.4] - 2022-01-10

Added

• Included updated documentation on some modules

[0.7.3] - 2021-07-02

Changed

• PBC calculations no longer has their own modules
• Each module in DIMPy/dimpy/methods only modifies the T2 tensor

[0.7.2] - 2021-07-01

Fixed

• Updated test/examples to account for new 'kdir' input

[0.7.1] - 2021-07-01

Fixed

• 'Kdir' key as a vector instead of a string

[0.7.0] - 2021-06-30

Added

• DIM with PBC (including examples and test cases)

[0.6.0] - 2021-06-29

Added

• DIM
• Analyzer

Changed

• analyzer, input_file, methods, nanoparticle, tools modules are now their own subpackages of DIMPy

[0.5.0] - 2021-06-18

Added

• Test cases
• Documentation
• CHANGELOG.rst

[pre 0.5.0]

Added

• DDA
• DDA with retardation
• DDA with PBC
• DDA with PBC and retardation