bohr: the pybind11 bindings

[madsbk]

The idea is to implement a Python interface with a minimal overhead.

Preliminary performance

Running this small benchmark produces on my laptop:

Numpy:    0.06131768226623535
Bohr:     0.4523584842681885
Bohrium:  8.404689311981201

[jamesavery]

Cool! :D

On Sun, 11 Aug 2019, 16:36 Mads R. B. Kristensen, notifications@github.com wrote:

The idea is to implement a Python interface with a minimal overhead. Preliminary performance

Running this small benchmark code produces on my laptop:

Numpy: 0.06131768226623535 Bohr: 0.4523584842681885 Bohrium: 8.404689311981201

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You can view, comment on, or merge this pull request online at:

https://github.com/bh107/bohrium/pull/634 Commit Summary

• Testing concept
• Added a small benchmark

File Changes

• A .gitmodules https://github.com/bh107/bohrium/pull/634/files#diff-0 (3)
• M CMakeLists.txt https://github.com/bh107/bohrium/pull/634/files#diff-1 (2)
• A bridge/bohr/CMakeLists.txt https://github.com/bh107/bohrium/pull/634/files#diff-2 (11)
• A bridge/bohr/main.cpp https://github.com/bh107/bohrium/pull/634/files#diff-3 (86)
• A bridge/bohr/pybind11 https://github.com/bh107/bohrium/pull/634/files#diff-4 (1)
• A bridge/bohr/small_bench.py https://github.com/bh107/bohrium/pull/634/files#diff-5 (44)
• M bridge/cxx/include/bhxx/BhBase.hpp https://github.com/bh107/bohrium/pull/634/files#diff-6 (4)
• M include/bohrium/bh_static_vector.hpp https://github.com/bh107/bohrium/pull/634/files#diff-7 (15)

Patch Links:

• https://github.com/bh107/bohrium/pull/634.patch
• https://github.com/bh107/bohrium/pull/634.diff

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