||Explore Wavefunction's Spartan
offerings for the Macintosh operating system below:
Student Edition is a serious molecular modeling package for
teaching, and learning, chemistry. Combining Spartan's easy to use
graphical interface with a targeted set of computational engines,
the Student Edition provides fundamental molecular modeling utilities
in supporting the Organic Chemistry curriculum.
The latest Spartan'16 release offers offers all features
and methods included in the Spartan Essential Edition, and in collaboration
with Q-Chem, provides
a full range of post-Hartree-Fock methods including Density Functional,
Moller Plesset, Thermochemistry recipes
(including the new T1 procedure), and an assortment
of Advanced Correlated approaches.
Spartan'16 Parallel Suite includes all of the features of the standard Spartan'16 program, but also adds access to two extensive data collections, the Spartan Spectra and Properties Database and the Spartan Molecular Database. Additionally, the Parallel Suite includes the ability to act as a computational server, accepting remotely submitted jobs from other Spartan'16 licenses or the iSpartan app (iPad, iPhone, iPod Touch), and supports the following tasks as parallel processing calculations over multiple cores:
True Parallel, one job/task over multiple cores is available for Hartree-Fock energies, equilibrium geometries, and transition state geometries; Density Functional: energies, equilibrium geometries, and transition state geometries; RI-M2 energies, equilibrium geometries, and transition state geometries. Frequencies for these models have also been partially parallelized. The T1 thermochemical recipe, which uses HF and RI-MP2 with dual basis sets is also fully parallelized.
Multi-threaded (one conformer, step, or molecule per core) tasks include all energy profile calculations, all multi-molecule list files, and all systematic conformational searches (equilibrium conformer and conformer distribution calculations).