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@seweber seweber released this Jul 7, 2020

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 bionic (18.04 LTS) amd64
  • rpm package: OpenSUSE Leap x86_64
  • Mac OS X dmg: Mac OS X 10.14
  • Windows exe: Compiled with Visual Studio 2017

For using pairinteraction as a Python 3 library, we recommend the installation via pip by calling pip install pairinteraction from the command line. Note that it might be necessary to upgrade pip by calling pip install --upgrade pip beforehand.

Changelog

  • Fix crash on Windows which was caused by a missing dependency
  • Fix crash which occurred if a symmetry sector did not contain any states
  • Implement a method for specifying the two-atom basis explicitly: We can pass a vector containing pairs of indices of one-atom basis vectors to SystemTwo.setOneAtomBasisvectors(). The specified pairs of one-atom basis vectors are then combined to two-atom basis vectors.
Assets 6
Pre-release
Pre-release

@seweber seweber released this Feb 5, 2020

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 bionic (18.04 LTS) amd64
  • rpm package: OpenSUSE Leap x86_64
  • Mac OS X dmg: Mac OS X 10.14
  • Windows exe: Compiled with Visual Studio 2017

For using pairinteraction as a Python 3 library, we recommend the installation via pip by calling pip install pairinteraction from the command line.

Changelog

  • Julia interface by @atombear: The pairinteraction software can now be used as a library for the Julia programming language. To obtain the library, compile pairinteraction from source using the -DWITH_JULIA=On cmake configuration switch.
  • Fix bug in calculation of radial matrix elements from model potentials which could cause pairinteraction to crash
  • Update build environment
Assets 6
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Pre-release

@seweber seweber released this Mar 12, 2019

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

For using pairinteraction as a Python 3 library, we recommend the installation via pip by calling pip install pairinteraction from the command line.

Changelog

  • The pairinteraction library can now use a Green tensor approach for calculating the interaction between Rydberg atoms which can be enabled by SystemTwo.enableGreenTensor(True).
  • This allows the calculation of pair potentials or van der Waals coefficients in the vicinity of a surface (perfectly conducting plate), see the tutorials pair_potential_near_surface.ipynb and vdw_near_surface.ipynb.
Assets 7
Pre-release
Pre-release

@seweber seweber released this Mar 10, 2019

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

For using pairinteraction as a Python 3 library, we recommend the installation via pip by calling pip install pairinteraction from the command line.

Attention: the pairinteraction library was renamed from libpairinteraction to pairinteraction. The Python tutorials were adapted accordingly.

Changelog

  • The pairinteraction Python 3 library can be installed from PyPI using pip by executing pip install pairinteraction from the command line.
  • The pairinteraction library was renamed to pairinteraction. The GUI is now located in the folder pairinteraction_gui and can be started by executing the commandstart_pairinteraction_gui, if pairinteraction was installed from the command line.
  • If pairinteraction is compiled from source and the Intel MKL has been installed, the FEAST eigensolver can be used for fast calculation of parts of the energy spectrum.
Assets 7
Pre-release
Pre-release

@seweber seweber released this Dec 18, 2018

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.
  • 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.
Assets 7
Pre-release
Pre-release

@seweber seweber released this Aug 3, 2018

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 Misc..
  • With the Python API, Coulomb wave functions (i.e. Whittaker functions) can be used as an alternative to Numerov's method.
  • The Python interface and the GUI can optionally be disabled. Then, just the C++ library is build which only requires Sqlite3, GSL, and Boost to be installed.
  • The homepage is improved further and some code refactored.
Assets 8
Pre-release
Pre-release

@seweber seweber released this Jul 3, 2018

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
  • Change the arrangement of the settings within the GUI
  • Allow for the calculation of dispersion coefficients in the presence of small magnetic fields
Assets 8
Pre-release
Pre-release

@seweber seweber released this Jun 15, 2018

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, adding further examples and an introductory tutorial 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
Assets 8
Pre-release
Pre-release

@pairinteraction-bot pairinteraction-bot released this Dec 22, 2017

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 of the pairinteraction Python library
  • Add additional tutorial and improve existing tutorial
  • Provide example 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
Assets 8
Pre-release
Pre-release

@hmenke hmenke released this Nov 15, 2017

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. We compiled a usage example. 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 or mail the developers.

Assets 6