From f5b55fc1f9db470277cbbc30392884be4a5fe067 Mon Sep 17 00:00:00 2001 From: Eduard Valeyev Date: Tue, 14 Sep 2021 16:10:55 -0400 Subject: [PATCH] publicly expose Engine::compute2_ptrs() --- include/libint2/engine.h | 3 +++ 1 file changed, 3 insertions(+) diff --git a/include/libint2/engine.h b/include/libint2/engine.h index a8d34d0e8..07b43afe8 100644 --- a/include/libint2/engine.h +++ b/include/libint2/engine.h @@ -955,11 +955,14 @@ class Engine { const Shell& s2, size_t p1, size_t p2, size_t oset); +public: /// 3-dim array of pointers to help dispatch efficiently based on oper_, /// braket_, and deriv_order_ + /// @note public since 2.7.0 to support efficient dispatch in user code __libint2_engine_inline const std::vector& compute2_ptrs() const; +private: // max_nprim=0 avoids resizing primdata_ __libint2_engine_inline void initialize(size_t max_nprim = 0); // generic _initializer