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SpinWaveGenie v0.1.1 (No replies)

quantumsteve
10 years ago
quantumsteve 10 years ago

Dear Colleagues,

A new computational tool for carrying out spin wave calculations is
available for download. While developing spin wave models to characterize
magnetic interactions in materials, we have looked for opportunities to
abstract and automate large portions of this analysis and modeling
process. By collecting and connecting these generic pieces in a software
library, we have substantially reduced the time to complete one of these
calculations. We believe SpinWaveGenie contains several features that help
it stand out among competing solutions:

* Performant. SpinWaveGenie is written in C++ using many C++11 features.
Linear algebra operations utilize the Eigen library and the code is
parallelized over Q-points using the Intel Threading Building Blocks. 

* Extensible. New interactions can easily be added by inheriting from an
abstract base class. Additional post-processing effects can be added via
composition. 

* Post-processing. Convolute your model calculation with a resolution
function and/or integrate each data point over a region in reciprocal
space. 

* Cross-platform. Our continuous integration platform builds on both linux
and OS X. A Homebrew formula and RPM package simplify user installation. 

* Free. SpinWaveGenie and all of its dependencies are freely available and
open source.

Over the past few months we have been working to make SpinWaveGenie available to the wider community. We have moved to a public GitHub repository and tagged release v0.1.1. Installation instructions are on the repository¹s wiki. The SpinWaveGenie wiki also contains many examples to help new users get started and continues to grow as we use SpinWaveGenie to model new materials. To facilitate communication amongst users and developers, we have created a public Gitter chatroom. We hope you will try SpinWaveGenie, send us feedback and consider making contributions to this open source project.

Sincerely,

Steven Hahn

Neutron Data Analysis and Visualization Division

Oak Ridge National Laboratory

hahnse at ornl dot gov




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Ab initio (from electronic structure) calculation of complex processes in materials