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Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA 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
NuCalc, also known as Graphing Calculator, is a computer software tool made by Pacific Tech. It can graph inequalities and vector fields, and functions in two, three, or four dimensions. It supports several different coordinate systems, and can solve equations. It runs on OS X as Graphing Calculator, and on Windows.
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3(MP2) [6] and T1. [7]
An early graphing calculator was designed in 1921 by electrical engineer Edith Clarke. [1] [2] [3] The calculator was used to solve problems with electrical power line transmission. [4] Casio produced the first commercially available graphing calculator in 1985. Sharp produced its first graphing calculator in 1986, with Hewlett Packard ...
Origin is a proprietary computer program for interactive scientific graphing and data analysis. It is produced by OriginLab Corporation, and runs on Microsoft Windows. It has inspired several platform-independent open-source clones and alternatives like LabPlot and SciDAVis. Graphing support in Origin includes various 2D/3D plot types.
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.
Graph representation of the serotonin molecule. (A) Molecular structure of serotonin. (B) Graph representation of the molecule. In a graph representing a chemical structure, the vertices and edges represent atoms and bonds, respectively. The bond order corresponds to the edge multiplicity, and as a result, chemical graphs are vertex and edge ...
A simple arithmetic calculator was first included with Windows 1.0. [5]In Windows 3.0, a scientific mode was added, which included exponents and roots, logarithms, factorial-based functions, trigonometry (supports radian, degree and gradians angles), base conversions (2, 8, 10, 16), logic operations, statistical functions such as single variable statistics and linear regression.