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2.2.0

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@evaleev evaleev released this 19 Feb 02:24
· 64 commits to master since this release

2.2.0 is the third release of SeQuant2. It's a feature-patch for 2.1.0 that fills the gaps in the support for evaluation/export of expressions with hyperindices and fixes a few issues.

What's Changed

New Features

  • assert_{enabled,behavior} are constexpr, used almost everywhere instead of macros by @evaleev in #496
  • evaluate expressions with non-aux-only hyperindices by @evaleev in #495
  • binarize uses user-provided external indices by @evaleev in #497
  • use Exception instead of std exceptions by @evaleev in #500

Bug Fixes

  • bugfix: unit tests did not "see" SEQUANT_ASSERT_BEHAVIOR due to #477 by @evaleev in #494
  • CacheManager does not use hashing for comparisons by @evaleev in #491
  • Context: strict_braket_symmetry -> assert_strict_braket_symmetry by @evaleev in #499

Tests

  • Correct prefactors in density expressions by @ajay-mk in #492

Full Changelog: v2.1.0...v2.2.0