Skip to content

Releases: evaleev/libint

2.5.0

09 Apr 20:31

Choose a tag to compare

Release 2.5.0 includes numerous improvements and bug fixes (see file CHANGES for more details).

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.5.0-beta.2

13 Aug 17:25

Choose a tag to compare

2.5.0-beta.2 Pre-release
Pre-release

Release 2.5.0 (beta2) includes numerous improvements and bug fixes.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.5.0-beta.1

11 Jul 19:05

Choose a tag to compare

2.5.0-beta.1 Pre-release
Pre-release

Release 2.5.0 (beta1) includes numerous improvements and bug fixes.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.4.2

21 Nov 14:15

Choose a tag to compare

Release 2.4.2 fixes usability on non-86 platforms.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.4.1

06 Nov 22:07

Choose a tag to compare

Release 2.4.1 fixes a memory leak in Engine::set_{param,oper,braket} + minor fixes.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.4.0

25 Oct 19:51

Choose a tag to compare

Release 2.4.0 includes all changes in 2.4.0 betas + minor usability improvements.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.4.0-beta.4

12 Oct 14:43

Choose a tag to compare

2.4.0-beta.4 Pre-release
Pre-release

Release 2.4.0-beta.4 fixes issues 85 and 86 and other bugs, and adds ability to utilize precomputed shell pair data in 2-body integrals.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.4.0-beta.3

03 Aug 21:32

Choose a tag to compare

2.4.0-beta.3 Pre-release
Pre-release

Release 2.4.0-beta.3 provides spherical multipole integrals, more efficient elecpot integrals, and includes other misc improvements.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.4.0-beta.2

23 May 14:49

Choose a tag to compare

2.4.0-beta.2 Pre-release
Pre-release

Release 2.4.0-beta.2 can export LCAO coefficients to Molden.

In addition to citing Libint2 as explained in file CITATION, please cite DOI

2.4.0-beta.1

19 May 22:36

Choose a tag to compare

2.4.0-beta.1 Pre-release
Pre-release

Release 2.4.0 supports configurable solid harmonic order and includes minor API changes.

In addition to citing Libint2 as explained in file CITATION, please cite DOI