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Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
List of ray tracing software. Ray tracing is a technique that can generate near photo-realistic computer images. A wide range of free software and commercial software is available for producing these images. This article lists notable ray-tracing software. Software.
RECFAST — Software was developed by Seager, Sasselov, and Scott and used to calculate the recombination history of the universe. The package is used by cosmological boltzmann codes (CMBFast, CAMB etc.) TOAST — Time Ordered Astrophysics Scalable Tools, developed and designed by Theodore Kisner, Reijo Keskitalo, Jullian Borrill et al.
Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker-OpenMM. Software tools for molecular design-Tinker-HP. Proprietary, gratis Washington University: UCSF Chimera: Yes Yes Yes No No No No No No
This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.
Polyspace. Polyspace is a static code analysis tool for large-scale analysis by abstract interpretation to detect, or prove the absence of, certain run-time errors in source code for the C, C++, and Ada programming languages. The tool also checks source code for adherence to appropriate code standards. [3]
Perl, Ruby, Shell, XML. A collection of build and release tools. Included is the 'precommit' module that is used to execute full and partial/patch CI builds that provides static analysis of code via other tools as part of a configurable report. Built-in support may be extended with plug-ins. Astrée.
Coverity is a proprietary static code analysis tool from Synopsys. This product enables engineers and security teams to find and fix software defects. Coverity started as an independent software company in 2002 at the Computer Systems Laboratory at Stanford University in Palo Alto, California. It was founded by Benjamin Chelf, Andy Chou, and ...
Understand (software) Understand is a customizable integrated development environment (IDE) that enables static code analysis through an array of visuals, documentation, and metric tools. [2] It was built to help software developers comprehend, maintain, and document their source code. [3] It enables code comprehension by providing flow charts ...
Defensive programming is an approach to improve software and source code, in terms of: General quality – reducing the number of software bugs and problems. Making the source code comprehensible – the source code should be readable and understandable so it is approved in a code audit. Making the software behave in a predictable manner ...