Release Notes: This major bugfix and performance improvement release is four times faster, has better convergence behavior, and can interface with visualization software such as Gabedit. The enhanced speed is due to the use of a density matrix to help pre-screen 2-electron integrals, and better handling of memory usage.
Release Notes: Minor improvements and bugfixes. Siam Quantum (SQ) runs much faster using a well-known technique whereby the 2-electron integrals have been grouped into "shell". It is now feasible for SQ to perform calculations on buckyball (C60). Many parameters can now be controlled using command-line options. A bug regarding the xyz format is now fixed.
Release Notes: A minor bugfix regarding reading XYZ file format and adding support for plotting molecular orbitals in CUBE file format.
Release Notes: This initial release includes Hartree-Fock method calculation.