Pairinteraction

Release Notes

Builds are available for GNU/Linux, Mac OS X, and Windows. The different packages were built on the following architectures:

- `deb` package: Ubuntu xenial (16.04 LTS), bionic (18.04 LTS) amd64
- `rpm` package: OpenSUSE Leap x86_64
- Mac OS X `dmg`: Mac OS X 10.12
- Windows `exe`: Compiled with Visual Studio 2015

Please note that we renamed some methods of the Python interface:
- `State[...].n` to `State[...].getN()`
- `State[...].l` to `State[...].getL()`
- `State[...].j` to `State[...].getJ()`
- `State[...].m` to `State[...].getM()`
- `State[...].getElement()` to `State[...].getSpecies()`
- `System[...].getHamiltonianmatrix()` to `System[...].getHamiltonian()`
- `System[...].getCoefficients()` to `System[...].getBasisvectors()`
- `System[...].getNumVectors()` to `System[...].getNumBasisvectors()`
- `System[...].getVectorindex()` to `System[...].getBasisvectorIndex()`
- `System[...].getStateindex()` to `System[...].getStateIndex()`
- `System[...].getDiagonal()` to `System[...].getHamiltonian().diagonal()`

Changelog
- Effective Hamiltonians can be calculated perturbatively by the [Schrieffer-Wolff transformation][transformation-link].
- Methods like `System[...].getStateIndex()` or `System[...].getOverlap()` can be called not only on individual states, but also on lists of states.
- A warning is raised if interatomic distances are smaller than the Le Roy radius.
- The API is now compatible with Python 3.7, also under windows.
- We did several improvements to the code base like adding additional unit tests, fixing style issues, cleaning up the build system, and introducing a consistent nomenclature.

[transformation-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/introduction.html#application-5-effective-hamiltonians

Release Notes

Builds are available for GNU/Linux, Mac OS X, and Windows. The different packages were built on the following architectures:

- `deb` package: Ubuntu xenial (16.04 LTS), artful (17.10), bionic (18.04 LTS) amd64
- `rpm` package: OpenSUSE Leap x86_64
- Mac OS X `dmg`: Mac OS X 10.12
- Windows `exe`: Compiled with Visual Studio 2015

Changelog

- We added an option to the GUI to just save results which are within specific energy limits. This allows to drastically reduce the size of the exported data so that larger basis sets can be used. The option can be found in the configuration tab named <kbd>Misc.</kbd>.
- With the Python API, Coulomb wave functions (i.e. Whittaker functions) [can be used][whittaker-link] as an alternative to Numerov's method.
- The Python interface and the GUI [can optionally be disabled][options-link]. Then, just the C++ library is build which only requires Sqlite3, GSL, and Boost to be installed.
- The [homepage][homepage-link] is improved further and some code refactored.

[homepage-link]: https://pairinteraction.github.io/
[whittaker-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/introduction.html#application-2-matrix-elements
[options-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/installation.html#build-options

Release Notes

Builds are available for GNU/Linux, Mac OS X, and Windows. The different packages were built on the following architectures:

- `deb` package: Ubuntu xenial (16.04 LTS), artful (17.10), bionic (18.04 LTS) amd64
- `rpm` package: OpenSUSE Leap x86_64
- Mac OS X `dmg`: Mac OS X 10.12
- Windows `exe`: Compiled with Visual Studio 2015

Changelog

- Improve the [homepage][homepage-link]
- Change the arrangement of the settings within the GUI
- Allow for the calculation of dispersion coefficients in the presence of small magnetic fields

[homepage-link]: https://pairinteraction.github.io/

Release Notes

Builds are available for GNU/Linux, Mac OS X, and Windows. The different packages were built on the following architectures:

- `deb` package: Ubuntu xenial (16.04 LTS), artful (17.10), bionic (18.04 LTS) amd64
- `rpm` package: OpenSUSE Leap x86_64
- Mac OS X `dmg`: Mac OS X 10.12
- Windows `exe`: Compiled with Visual Studio 2015

Changelog

- Improve [documentation][documentation-link], adding further examples and an [introductory tutorial][introduction-link] to the pairinteraction Python library
- Improve nomenclature, renaming some methods of the pairinteraction library
- Implement class for fast calculation and storage of matrix elements
- Implement class for calculation of dispersion coefficients
- Fix units in exported files
- Add strontium

[documentation-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/index.html
[introduction-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/introduction.html

Release Notes

Builds are available for GNU/Linux, Mac OS X, and Windows. The different packages were built on the following architectures:

- `deb` package: Ubuntu xenial (16.04 LTS), zesty(17.04), artful(17.10) amd64
- `rpm` package: OpenSUSE Leap x86_64
- Mac OS X `dmg`: Mac OS X 10.12
- Windows `exe`: Windows 7 x86_64, tested with Windows 10

Changelog

- Simplify [installation][installation-link] of the pairinteraction Python library
- Add additional [tutorial][tutorial-link] and improve existing tutorial
- Provide [example][example-link] scripts
- Speed up program with in-memory cache for quantum defects
- Windows: Fix multiprocessing issue, check if VCRedist already installed
- OS X: Fix incompatibility of the pairinteraction library with latest Conda version
- Ubuntu: Build packages for more platforms

[installation-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/installation.html#pairinteraction-python-library
[tutorial-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/tutorials.html
[example-link]: https://github.com/pairinteraction/pairinteraction/tree/master/doc/sphinx/examples_python

Release Notes

Builds are available for GNU/Linux, Mac OS X, and Windows. The different packages were built on the following architectures:

- `deb` package: Ubuntu 16.04 LTS amd64
- `rpm` package: OpenSUSE Leap x86_64
- Mac OS X `dmg`: Mac OS X 10.11
- Windows `exe`: Windows 7 x86_64, tested with Windows 10

Changelog

- Python and C++ interface
- Native Windows build using AppVeyor
- Make Windows installer offline
- Integration and several unit tests
- Measuring of code coverage
- Start documenting the Python interface with Sphinx

Notes on the Python and C++ Interface

The C++ library is contained in the folder *libpairinteraction* inside the installation directory. For the installation of the Python library, see the [documentation][docs-link]. We compiled a [usage example][example-link]. Further example applications are going to come. As the Python and C++ interface is still under heavy development, the interface architecture could change. If you notice any problems with the interfaces, please open a new [issue][issue-link] or mail the developers.

[docs-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/installation.html#installation-of-the-pairinteraction-python-library
[example-link]: https://pairinteraction.github.io/pairinteraction/sphinx/html/comparison_to_saffman_fig13.html
[issue-link]: https://github.com/pairinteraction/pairinteraction/issues