Pre-release

@evaleev evaleev released this Aug 13, 2018 · 20 commits to master since this release

Assets 5

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

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

Pre-release

@evaleev evaleev released this Jul 11, 2018 · 63 commits to master since this release

Assets 5

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

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

@evaleev evaleev released this Nov 21, 2017 · 122 commits to master since this release

Assets 5

Release 2.4.2 fixes usability on non-86 platforms.

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

@evaleev evaleev released this Nov 6, 2017 · 125 commits to master since this release

Assets 5

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

@evaleev evaleev released this Oct 25, 2017 · 130 commits to master since this release

Assets 5

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

Pre-release

@evaleev evaleev released this Oct 12, 2017 · 134 commits to master since this release

Assets 5

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

Pre-release

@evaleev evaleev released this Aug 3, 2017 · 152 commits to master since this release

Assets 5

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

Pre-release

@evaleev evaleev released this May 23, 2017 · 173 commits to master since this release

Assets 5

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

Pre-release

@evaleev evaleev released this May 19, 2017 · 182 commits to master since this release

Assets 5

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

May 17, 2017