Chemistry Equations Balancer

cclib is a Python library for parsing and interpreting the results of computational chemistry packages. Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational modes, and the results of a TD-DFT calculation. cclib...

XMDS is a code generator that integrates equations. You write them down in human readable form in a XML file, and it goes away and writes and compiles a C++ program that integrates those equations as fast as it can possibly be done in your architecture.

Gerris project is an Open Source Free Software library for the solution of the partial differential equations describing fluid flow. Gerris is supported by NIWA (National Institute of Water and Atmospheric research) and by the Marsden Fund of the Royal Society of New Zealand. The code is...


Platforms: *nix

Pen is a load balancer for "simple" TCP-based protocols such as HTTP or SMTP. Pen project allows several servers to appear as one to the outside. It automatically detects servers that are down and distributes clients among the available servers. This gives high availability and scalable...


Platforms: *nix

Elastica was developed as a highly efficient and extensible, rules-based load-balancer for JBoss. It was designed in order to add dynamic behavior to EJB load balancing. Rules can be defined to redirect EJB requests according to request data, server performance data, or even the time of day....


Platforms: Windows

Hate to balance your checkbook? This spreadsheet takes the drudgery out of a tedious task, and is a great way to learn to balance your checkbook.


Platforms: Windows

The most important tool when it comes to solving any chemistry problem is the Periodic Table, that orders and classifies each of the elements depending on its properties and characteristics. If you are looking for a Periodic Table for your PC, one of the best options available is, without any...


Platforms: Mac

The most important tool when it comes to solving any chemistry problem is the Periodic Table, that orders and classifies each of the elements depending on its properties and characteristics. If you are looking for a Periodic Table for your PC, one of the best options available is, without any...


Platforms: Windows

A GUI program written in Perl and utilizing Tk that is meant to solve equations commonly found in math and science. Current equation set is based upon High School Geometry, Algebra II, Trigonometry, and Chemistry with more to come.


Platforms: Windows, Mac, Linux

Xem Application allows you to solve pH balance equations. Requirements: - Qt


Platforms: *nix, C/C++, BSD

Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC and Q-Chem computational chemistry packages.Gabedit includes graphical facilities for generating keywords and options, molecule specifications and their input sections for even the most advanced calculation...


Platforms: *nix, C/C++, BSD

For an input of n equations, it converges to the solution.For an input of >n equations, there is no exact solution. In this case, the function minimizes sum( (individual equation errors).^2)


Platforms: Matlab

solvesimul.m can be easily adapted to solve more equations but as it stands it will solve 2 unknowns in 2 equations (1 non-linear and one linear).To solve equations of this form... a*x + b*y = A (1) a1*x^2 + b1*y^2 = B (2)...with fsolve (used by solvesimul.m) you need to rewrite them so that they...


Platforms: Matlab

It estimates the Newton Raphson optimization procedure for (m) unknowns of (n) non-linear equations. In case no Jacobian vector is presented, then the initial Jacobian vector is estimated by Broyden Method (multivariate secant approach) and it is then updated using the Sherman Morrison...


Platforms: Matlab

It is application of of Simulink Block to Cardiac PDE VI1 system of 2 non linear coupled equations of PDE and try to design solution with dicretized space and time and issue in 1D.I associate a Doc file to introduction theory.Just see this page simulink and not for run.I will next time develop...


Platforms: Matlab

This function solves the linear fractional-order differential equations (FODE) with constant coefficients. The short memory principle has not neen used here, so the length of input signal is limited to few hundred samples. The parameters of the FODE (in its standard form) are the inputs of this...


Platforms: Matlab

Two mass variable equations with "Aerospace 3Dof Simple Variable Mass Blockset" are compared in a 1Dof frictionless environment. Initial conditions are given in Model Callbacks.Results showed that "Aerospace 3Dof Simple Variable Mass Blockset" uses the incorrect equation.


Platforms: Matlab

The two programs computes residue curve maps for the methyl acetate and isopropyl acetate chemistries at atmospheric pressure. These calculations involve solving a complex system of differential algebraic equations (DAEs). This can be readily achieved using the built-in function of MatLab,...


Platforms: Matlab

LYAPACK is a MATLAB toolbox for the solution of certain large scale problems in control theory, which are closely related to Lyapunov equations. In contrast to the 'lyap' and 'dlyap' command in the MATLAB Control toolbox it uses iterative algorithms and is intended for large, sparse problems.


Platforms: Matlab

This is a suite of MATLAB codes to calculate effective Eckart inertias for large amplitude torsions published by Bryan M. Wong, Ryan L. Thom, and Robert W. Field in The Journal of Physical Chemistry A 110, 7406 - 7413 (2006). The Eckart inertias are obtained by solving a system of transcendental...


Platforms: Matlab