[fix] subspace initialization in test_lr_solver #934
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gsavva
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Dec 5, 2023
toxa81
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* [update] bump version; add link to discourse.group (#930) * [refactor] get rid of template in radial_integrals_sum_L3() (#932) * apply @simonpintarelli proposed code change * get rid of one more tempale * default: -> throw, whitespace * fix * apply format --------- Co-authored-by: Simon Pintarelli <simon.pintarelli@cscs.ch> * [fix] subspace initialization in test_lr_solver (#934) * [cmake] remove std::filesystem target (#936) std::filesystem is part of C++17 which is required via CXX_STANDARD, there is no need to check for it explicitly * [fix] compilation error for ~memory_pool+tests (#939) * Ci/rebuild base image (#942) * CI: rebuild base images / pin spack to v0.21 * CI: use anonymous environments instead of dev-build with SPEC * avoid creating partitions with empty intervals in COSTA `custom_layout` --------- Co-authored-by: Anton Kozhevnikov <toxa81@gmail.com> * [fix] truncate very small occupation numbers to 0 (#943) * [refactor] minor cleaups (#938) * minor cleaups * apply format * [cmake] add missing REQUIRED (#945) * [fix] scalar-relativistic radial solver (#941) Introduce a few fixes for the scalar-relativistic radial solver. * [feature] port lr_addusdens to sirius (#937) Use a different sequence of operations to compute G+q augmentation charge. --------- Co-authored-by: Simon Pintarelli <simon.pintarelli@cscs.ch> Co-authored-by: Simon Pintarelli <1237199+simonpintarelli@users.noreply.github.com>
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It should be complex, i.e.
std::complex<F>, not real.