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Anthony Scemama 2020-10-16 19:42:27 +02:00
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# Quantum Monte Carlo Kernel Library. # QMCkl: Quantum Monte Carlo Kernel Library
![Build Status](https://github.com/TREX-CoE/qmckl/workflows/test-build/badge.svg?branch=main) ![Build Status](https://github.com/TREX-CoE/qmckl/workflows/test-build/badge.svg?branch=main)
The domain of quantum chemistry needs a library in which the main The domain of quantum chemistry needs a library in which the main
kernels of Quantum Monte Carlo (QMC) methods are implemented. In the kernels of Quantum Monte Carlo (QMC) methods are implemented. In the
library proposed in this project, we expose the main algorithms in a library proposed in this project, we expose the main algorithms in a
language and provide a standard API and tests to enable the simple language and provide a standard API and tests to enable the
development of high-performance QMCkl implementations taking development of high-performance QMCkl implementations taking
advantage of modern hardware. advantage of modern hardware.
See the [source code](https://github.com/TREX-CoE/qmckl/src/README.org) See the [source code](https://github.com/TREX-CoE/qmckl/tree/main/src)
to read the documentation. to read the documentation.
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[TREX: Targeting Real Chemical Accuracy at the Exascale](https://trex-coe.eu) project has received funding from the European Unions Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content. [TREX: Targeting Real Chemical Accuracy at the Exascale](https://trex-coe.eu) project has received funding from the European Unions Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.