Jaguar (software)

Jaguar is a computer software package used for ab initio quantum chemistry calculations for both gas and solution phases.

[1] It is commercial software marketed by the company Schrödinger.

The program was originated in research groups of Richard Friesner and William Goddard and was initially called PS-GVB (referring to the so-called pseudospectral generalized valence bond method that the program featured).

[2] This approximation can be applied to computationally expensive integral operations present in most quantum chemical calculations.

As a result, calculations are faster with little loss in accuracy.