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LIBINT REVISION HISTORY
Following is a brief summary of changes made in each release of Libint.
- 2017-11-06: 2.4.1
- plugged leaky Engine::set_{param,oper,braket}
- fixed uninitialized value use by libint2::molden::Export
- eri test will only validate integrals over Cartesian Gaussians if Obara-Saika-Ahlrichs are used
- 2017-10-25: 2.4.0
- changed default to use user-provided boost over bundled boost + minor fixes
- 2017-10-11: 2.4.0-beta.4
- added support for precomputed pair data use in 2-body C++ API
- fixed the derivative VRRs for the electrostatic potential ints that were used since 2.4.0-beta.3
- fixed Cygwin compilation issues (#85)
- fixed generic derivative code (#86)
- 2017-08-03: 2.4.0-beta.3
- added support for spherical multipole integrals
- electrostatic potential ints use HRR
- configure scripts use AS_HELP_STRING
- 2017-05-18: 2.4.0-beta.2
- cgshell_ordering.h is no longer preprocessed by configure, and has shgshell_ordering.h counterpart
- added molden exporter
- 2017-05-18: 2.4.0-beta.1
- added support for configurable solid harmonic order (standard and GaussianXX only)
- real_t -> scalar_type and realvec_t -> value_type
- 2017-05-02: 2.3.0
- bumped the compiler source license to GPLv3, generated code is LGPLv3.
- replaced non-standard-conforming libint2::any with a homegrown C++17-conforming any;
std::any is used if available.
- 2017-03-29: 2.3.0-beta.6
- minor bug fixes introduced in beta.5
- 2017-03-28: 2.3.0-beta.5
- now use bundled boost preprocessor only
- added erf- and erfc-attenuated Coulomb 1-body ints
- improved const-correctness of C++11 API
- 2017-03-06: 2.3.0-beta.4
- fixed include path handling of in-place vs. installed generated headers (HT https://github.com/mfherbst)
- fixed 2-norm Schwarz computation in hf++
- 2017-01-12: 2.3.0-beta.3
- boys.h requires C++11; Chebyshev7 is the default Boys engine, Chebyshev3 is gone.
- 2016-12-15: 2.3.0-beta.2
- fixed a bug in r12 core integrals code
- added erf- and erfc-attenuated Coulomb integrals
- sanitize Eigen includes
- 2016-11-23: 2.3.0-beta.1
- read_dotxyz accepts bohr-to-angstrom conversion factor, the default is (still) 2010 CODATA