Azam/feature/hardcoded biorthogonal coefficients #457
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…nal_coefficients' into azam/feature/hardcoded_biorthogonal_coefficients
…eature/hardcoded_biorthogonal_coefficients # Conflicts: # SeQuant/domain/mbpt/biorthogonalization.cpp
…eature/hardcoded_biorthogonal_coefficients
…eature/hardcoded_biorthogonal_coefficients
…se use computed ones
evaleev
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evaleev
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some initial changes. Use these to go over the PR and address possible other places where these comments apply.
| bool using_hardcoded = false; | ||
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| if (n_particles <= 6) { | ||
| std::cout << "using hardcoded biorthogonalization coefficients for rank = " |
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This can be removed, and the same below.
| if (range_rank <= 1) return input_arr; | ||
| btas::Tensor<Args...> result{input_arr.range()}; | ||
| result.fill(0); | ||
| const auto lannot = perm; |
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Is this necessary? You can directly use perm in the btas::permute call, right?
| return eval_result<this_type>( | ||
| biorthogonal_nns_project_ta(get<ArrayT>(), bra_rank)); | ||
| if constexpr (std::is_integral_v<numeric_type>) { | ||
| std::abort(); |
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Switch to SEQUANT_ABORT and with an error message.
| return eval_result<ResultTensorBTAS<T>>( | ||
| biorthogonal_nns_project_btas(get<T>(), bra_rank)); | ||
| if constexpr (std::is_integral_v<numeric_type>) { | ||
| std::abort(); |
| #include <vector> | ||
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| namespace sequant { | ||
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Functions in this file need to be documented. Since the biorthogonalization logic is in the mbpt namespace, makes sense to move these components there, or even to a detail namespace.
PS: In case you are moving these to mbpt::detail namespace, merge with the latest master to avoid namespace ambiguity issues.
| if (!first_row.empty()) { | ||
| return make_hardcoded_biorth_coeffs_matrix(first_row, n_particles); | ||
| } | ||
| return Eigen::Matrix<sequant::rational, Eigen::Dynamic, Eigen::Dynamic>(0, 0); |
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| target_link_libraries(SeQuant PUBLIC range-v3::range-v3 Boost::regex Boost::locale Boost::headers SeQuant-bliss Threads::Threads) | ||
| target_link_libraries(SeQuant PRIVATE libperm::libperm $<BUILD_LOCAL_INTERFACE:utfcpp>) | ||
| target_link_libraries(SeQuant PUBLIC libperm::libperm $<BUILD_LOCAL_INTERFACE:utfcpp>) |
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If possible, I would suggest/prefer keeping these dependencies private.
This branch provides hardcoded biorthgonal and nns coefficients