Daniel Crawford (Virginia Tech), Francesco Evangelista (Emory University), and Henry F. Primary development of Psi4 is currently performed by the research groups of David Sherrill (Georgia Tech), T. Psi4 is the latest release of the program package - it is open source, released as free under the GPL through GitHub. The major part of the program is written in C++, while Python API is also available, which allows users to perform complex computations or automate tasks easily. The program can compute energies, optimize molecular geometries, and compute vibrational frequencies. Utilizing Psi, one can perform a calculation on a molecular system with various kinds of methods such as Hartree-Fock, Post-Hartree–Fock electron correlation methods, and Density functional theory. Psi is an ab initio computational chemistry package originally written by the research group of Henry F.

), magneto-hydro dynamics, compressible flows, two-phase flows (Euler-Lagrange approach with two-way coupling), extensions to specific applications (e.g. Dedicated modules are available for specific physics such as radiative heat transfer, combustion (gas, coal, heavy fuel oil. Its basic capabilities enable the handling of either incompressible or expandable flows with or without heat transfer and turbulence (mixing length, 2-equation models, v2f, Reynolds stress models, Large eddy simulation.). It is based on a co-located finite-volume approach that accepts meshes with any type of cell (tetrahedral, hexahedral, prismatic, pyramidal, polyhedral.) and any type of grid structure (unstructured, block structured, hybrid, conforming or with hanging nodes.). Developed since 1997 at Électricité de France R&D, Code_Saturne is distributed under the GNU GPL licence. Code_Saturne is a general-purpose computational fluid dynamics free computer software package.

Pyrosim fds