Releases: evaleev/libint
Releases · evaleev/libint
2.6.0-beta.1
Release 2.6.0-beta.1 includes CMake module finder.
In addition to citing Libint2 as explained in file CITATION, please cite ![DOI](https://camo.githubusercontent.com/54d8791a4cf1885250a15de56b2a445e7b0aabe1a8f626546ece02f2dbbcff68/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e323637323935372e737667)
2.5.0
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](https://camo.githubusercontent.com/3da35a194d12c421f00519d30514b5f170a4ffc14342df1207f8ae940084226d/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e323633343532332e737667)
2.5.0-beta.2
Release 2.5.0 (beta2) includes numerous improvements and bug fixes.
In addition to citing Libint2 as explained in file CITATION, please cite ![DOI](https://camo.githubusercontent.com/030f0a709640d35d6b86f9967abf6885278590ce8c210eac80f677c333e8b03f/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e313334343632312e737667)
2.5.0-beta.1
Release 2.5.0 (beta1) includes numerous improvements and bug fixes.
In addition to citing Libint2 as explained in file CITATION, please cite ![DOI](https://camo.githubusercontent.com/d92e5f5bb9924168d15e1e4a37aa1651ddfb433d03a85e1489bdf98b027a2ecc/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e313331303034312e737667)
2.4.2
Release 2.4.2 fixes usability on non-86 platforms.
In addition to citing Libint2 as explained in file CITATION, please cite ![DOI](https://camo.githubusercontent.com/bfb1e353ec599a0edf8c0056906fd7fb16f6f11d017956578882351d6c705ed1/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e313036343035372e737667)
2.4.1
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](https://camo.githubusercontent.com/355da979329d4cae06a9ca3183c6aaea53b5b0c7355a85f0048891968ed1becb/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e313034323830332e737667)
2.4.0
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](https://camo.githubusercontent.com/0442dbbe57b356b67ef9cfa8091558b92e033c905b3f4cbab9f5838a09de8ab5/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e313033363832332e737667)
2.4.0-beta.4
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](https://camo.githubusercontent.com/085d27fbdf56aa35a1099a4c85d194fa61846feaf3c807c7d6742f27ef82f209/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e313030393536332e737667)
2.4.0-beta.3
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](https://camo.githubusercontent.com/28755faba4ccc8b95f6dafa30b1af60b0bacda7005ea5f1f6c8ac666086cea67/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e3833383738312e737667)
2.4.0-beta.2
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](https://camo.githubusercontent.com/3387211b9c4a8ad260661f73d56bb7dc96c63e660f0b60bb145679484e07bda7/68747470733a2f2f7a656e6f646f2e6f72672f62616467652f444f492f31302e353238312f7a656e6f646f2e3538323633312e737667)