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Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts. OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray crystallography, and biomolecules.
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.
White Rabbit provides sub-nanosecond synchronization accuracy, which formerly required dedicated hard-wired timing systems, with the flexibility and modularity of real-time Ethernet networks. A White Rabbit network may be used solely to provide timing and synchronization to a distributed electronic system, or be used to provide both timing and ...
Free and open-source software portal; Unison is a file synchronization tool for Windows and various Unix-like systems (including macOS and Linux). [3] It allows two replicas of a collection of files and directories to be stored on different hosts (or different disks on the same host), modified separately, and then brought up to date by propagating the changes in each replica to the other.
Tools. Tools. move to sidebar hide. ... Pages in category "Computational chemistry software" ... (computer program) Spartan (chemistry software) Spinach (software) T.
A computer-assisted design (CAD) tool for synthetic biology, used to design genetic constructs based on grammar rules. Linux, macOS, Windows: Apache License 2.0 GenoCAD Team (Virginia Bioinformatics Institute) Genomespace: Centralized web application that provides data format transformations and facilitates connections with other bioinformatics ...
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The name originates from Pople's use of Gaussian orbitals to speed up molecular electronic structure calculations as opposed to using Slater-type orbitals, a choice made to improve performance on the limited computing capacities of then-current computer hardware for Hartree–Fock calculations. The current version of the program is Gaussian 16. [5]