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The domain of quantum chemistry needs a library in which the main
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The domain of quantum chemistry needs a library in which the main
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kernels of Quantum Monte Carlo (QMC) methods are implemented. In the
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kernels of Quantum Monte Carlo (QMC) methods are implemented. In the
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library proposed in this project, we expose the main algorithms in a
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library proposed in this project, we expose the main algorithms in a
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language and provide a standard API and tests to enable the
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simple language and provide a standard API and tests to enable the
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development of high-performance QMCkl implementations taking
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development of high-performance QMCkl implementations taking
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advantage of modern hardware.
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advantage of modern hardware.
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