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As with Cygwin, MSYS2 supports path translation for non-MSYS2 software launched from it. For example one can use the command notepad++ /c/Users/John/file.txt to launch an editor that will open the file with the Windows path C:\Users\John\file.txt. [9] [8] MSYS2 and its bash environment is used by Git and GNU Octave for their official Windows ...
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.
Software by NIST for compression of structure with mass spectra. The program seeks to find mechanisms and their rates for all fragmentation types (EI, Tandem positive and negative mode) and correlates mass spectral peaks to a probable origin structure. It contains an isotope calculator and other features and on-line help.
Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...
HDL simulators are software packages that simulate expressions written in one of the hardware description languages, such as VHDL, Verilog, SystemVerilog. This page is intended to list current and historical HDL simulators, accelerators, emulators, etc.
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]
Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, ... List of quantum chemistry and solid state physics software;
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.