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Chemistry: BOPES Sampler tutorial#1059
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nonhermitian merged 10 commits intoQiskit:masterfrom Oct 21, 2020
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nonhermitian
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Oct 21, 2020
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It seems the same tutorial is there twice with one numbered 5 and the other 05 |
nonhermitian
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Oct 21, 2020
manoelmarques
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Mar 11, 2021
* bopes tutorial added * renaming + changes in the tutorial * more renaming * remove redundant files * more naming * remove duplicate * small fix Co-authored-by: Paul Nation <nonhermitian@gmail.com>
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Summary
add tutorial for sampling the Born Openheimer Potential Energy Surface (BOPES) utilizing the new chemistry release interfaces and implementations.
Details and comments
Tutorial for sampling the Born Openheimer Potential Energy Surface (BOPES) utilizing the new chemistry release interfaces and implementations. Also demonstration of bootstrapping and extrapolation capabilities of the PES_samplers