Materials Studio is a complete modeling and simulation environment designed to allow researchers to predict and understand the relationships of a material’s atomic and molecular structure with its properties and behavior. Materials Studio can be used to understand all types of materials, including pharmaceuticals, catalysts, polymers and composites, semiconductors, molecules, metals and alloys, batteries, and more.
Mathcad is a program used for performing, documenting, and sharing mathematical designs and calculations. The easy to use interface uses standard mathematical notations. Mathcad uses an XML architecture to perform advanced and powerful calculations. Mathcad is available for use in all of the DECS public labs.
Where is Mathcad?
Mathcad is available on all DECS PC machines
How To Use Mathcad
As mentioned above, Mathcad can be used as a scratchpad. Simply type any equation on the blank page and Mathcad will solve the equation. Mathcad also has several menus/toolbars to help build the equation. The user simply fills in the blank with numbers or variables.
The following toolbars are available:
Mathematica is a mathematical software system developed and distributed by Wolfram Research. It is a program that provides an environment for advanced numerical calculations, data processing, plotting, and much more. Mathematica includes a large list of features for finding a solution to almost any problem. Some of the features include libraries of mathematical functions, data visualization tools, and matrix manipulation tools. Mathematica is available on the DECS PC lab computers and DECS UNIX computing servers.
What is MATLAB?
MATLAB is a technical computing environment for high-performance numeric computation and visualization. MATLAB integrates numerical analysis, matrix computation, signal processing and graphics in an easy-to-use environment where problems and solutions are expressed just as they are written mathematically - without traditional programming.
MATLAB® is a high-level language and interactive environment that enables you to perform computationally intensive tasks faster than with traditional programming languages such as C, C++, and Fortran.
MATLAB also features a family of application-specific solutions called toolboxes. Toolboxes are collections of MATLAB functions (M-files) that extend the MATLAB environment in order to solve particular classes of problems.
To find out what toolboxes are available on a system, type the command ver on the matlab prompt.
Where is MATLAB?
MATLAB is available in the DECS Public Labs, Remote Desktop Services, and the DECS Compute Servers. Matlab may be acquired for any computer through the MSU Computer store, and can be installed on Engineering owned machines only by DECS.
Invoking MATLAB on the DECS Compute Servers
To invoke MATLAB on the DECS Compute Servers enter the command matlab in a terminal window. If you have connected via X2Go you will be presented with the full Matlab GUI. If you have simply made an ssh connection, the MATLAB banner appears with the MATLAB prompt ">>". At this point, the MATLAB interpreter is awaiting instructions from you. To enter a small matrix, place brackets around the data and separate the rows with semicolons:
A = [ 1 2 3; 4 5 6; 7 8 9]
When you press Return, MATLAB responds with:
A = 1 2 3 4 5 6 7 8 10
To invert this matrix, enter
B = inv(A)
Editing the Command Line
To edit mistyped commands or recall previous command lines, you can use the arrow keys. For example, if you misspell sqrt in the command
Instead of retyping the entire line, press the "up" key. The last command you entered displays. You can press key to move the cursor left, backspace to delete r and the r key to insert the r in the right place.
The commands you enter during a MATLAB session are stored in a moderately sized input buffer. You can "smart recall" to recall a previous command whose first few characters you specify.
As you become proficient with MATLAB, you will do an increasing amount of work with M-files. M-files contain a series of MATLAB statements and these files are created and edited with text editors such as vi, Emacs, etc. You can use a separate window for running the editor. M-file is a record of how a problem was solved and automates command entry as well as allows user defined function that can be executed from the command line in the future.
Use the exclamation point character "!" within MATLAB to indicate the input line is a command to the operating system. This is useful for running any UNIX utility or other program, without exiting from MATLAB. When the external process completes, control returns to MATLAB.
A help facility provides on-line information for most MATLAB topics. The command help with no arguments displays a list of directories that contain MATLAB related files. Each line displayed lists the name of a directory followed by a description of the directory contents. Some of the directories are associated with the base MATLAB itself; they contain information about the functions that are built in the core MATLAB processor, or included M-files with every copy of MATLAB. Other directories are for toolboxes; these contain collections of additional MATLAB functions covering more specialized application areas. For a list of functions covered by a particular directory, type help followed by the directory name (help matfun). Often the names listed are functions, so help followed by one of these names provides detailed information about that feature (help eig).
A more general information search is provided by lookfor. This command is like using the index in a book and is similar to the UNIX apropos command (lookfor inverse). Three other commands, who, what and which give information about variables, file and directories. Type help who, help what and help which to find out details.
For additional help, you may try Matlab's site on the Internet at http://www.mathworks.com.
Typing demo at the MATLAB prompt demonstrates some of MATLAB's capabilities and uses a menu called Expo.
Exporting MATLAB Data
Recording a MATLAB Session
The diary command creates a diary of your MATLAB session in a disk file. (Graphics are not saved) The resulting ASCII file is suitable for inclusion into reports and other documents using any word processor.
MATLAB's various plotting functions create windows that contain graphics. The print filename command can be executed to create a postscript file of the active figure which is placed in your root directory. From a unix prompt you can then send the postscript file to the printer using the "lp" command.
How To Start MATLAB in Background
Before attempting to run a matlab program in background, remove any graphic commands, such as plot, etc from your file, my_file.m. Then use the following to run your m-file in background on one of the servers:
nohup matlab < my_file > outfile &
The 'nohup' will enable the program to keep running after you log off the server. The '&' will tell the server to run the command in background. Outfile is where your output will be stored.
If you are running in the background, you will probably also want to save the output from your variables also.
save foo [var1 [var2 [...]]]
This will create a file called foo.mat. If you do not specify any variables, then Matlab will save your entire workspace (this can be quite large). To retrieve the data in foo, use 'load foo' in the Matlab window.
Things To Try
( type as seen at the MATLAB prompt >>)
sqrt(-1) x = [-1 0 2] x = x' y = x - 1 inprod = x'*y outprod = x*y' who A = [1 2 3; 4 5 6; 7 8 0] B = A' B(1,1) B(:,1) B(1:2,:) x(3) C = A + B b = A*x x = inv(A)*b z = pi*x who w = x*y w = x.*y u = x^2 u = x.^2
z = cos(pi/3) z = [-1:0.05:1]' zz = cos(2*pi*z) plot(z,zz) plot(z,zz,z,zz,'ro') zz = exp(-1.5*z).*cos(2*pi*z) plot(z,zz,z,zz,'ro') title(`Figure 1'); xlabel(`Time'); ylabel(`Amplitude'); grid
(create a file called bumps.m in your root directory. It should include:) function y = bumps(x) y = 1./((x-.3).^2+.01) + 1./((x-.9).^2+.04) - 6 (then at the prompt >>) x = -1:0.01:2; plot(x,bumps(x)) fplot(`bumps',[-1 2],0.01)
x=-8:0.5:8; y = x; [X,Y]=meshgrid(x,y) plot(X,Y,'.') R = sqrt(X.^2 + Y.^2) +eps Z = sin(R)./R contour(x,y,Z,10) mesh(x,y,Z) meshc(x,y,Z)
MATLAB Command and Function Tables
The 20 categories listed below provide command and function reference tables for their associated topic. To find "general" commands and functions for MATLAB, at the MATLAB prompt ">>", enter:
To find MATLAB operators and special characters, at the MATLAB prompt ">>", enter:
Category Description -------- ------------------------------------------------ general General purpose commands ops Operators and special characters lang Language constructs and debugging elmat Elementary matricies and matrix manipulation specmat Specialized matricies elfun Elementary math functions specfun Specialized math functions matfun Matrix functions - numerical linear algebra datafun Data analysis and Fourier transform functions polyfun Polynomial and interpolation functions funfun Function functions - nonlinear numerical methods sparfun Sparse matrix functions plotxy Two dimensional graphics plotxyz Three dimensional functions graphics General purpose graphics functions color Color control and lighting model functions sounds Sound processing functions strfun Character string functions iofun Low-level file I/O functions demos Demonstrations and samples
Microsoft Access is database software developed and distributed by Microsoft; it is part of the Microsoft Office Suite. Access provides an easy to use graphical interface along with a powerful database backend. This software allows for the use of many different types of databases including Access/Jet, Microsoft SQL, Oracle, and more. Access is available on all DECS PC Lab computers and can be installed by DECS on any machine for a minimal fee.
Microsoft Excel is spreadsheet software developed and distributed by Microsoft; it is part of the Microsoft Office Suite. Excel can be used to make large spreadsheets as well as complex graphs and charts. This program has features that include many graph and chart options, advanced equations, in addition to advanced cell manipulation. Excel is available on all the DECS PC Lab computers and can be installed by DECS on any machine for a minimal fee.
|Microsoft Office OneNote||
Microsoft OneNote 2010 is a digital notebook that provides a single place where you can gather all of your notes and information, with the added benefits of powerful search capabilities to find what you are looking for quickly, plus easy-to-use shared notebooks so you can manage information overload and work together with others more effectively.
|Microsoft Office Project||
User-controlled scheduling puts you in control and brings together the flexibility and ease of a tool like Microsoft® Excel® 2010 and the power of the Project scheduling engine. And, with a completely new and visually-enhanced timeline view, you have an easier, more intuitive way to see and share key dates and deadlines.
|Microsoft Office Visio||
Microsoft Visio 2010 advanced diagramming tools help you simplify complexity with dynamic, data-driven visuals and new ways to share on the Web in real time. Whether you’re creating an organizational chart, a network diagram, or a business process, the new tools and more intuitive interface in Visio 2010 make it easier to bring your diagrams to life.
Microsoft Outlook is full featured organizational software; developed and distributed by Microsoft. This software is part of the Microsoft Office Suite. Outlook provides support for e-mail, calendar, to-do lists, and notes. The e-mail client portion of Outlook can support all types of e-mail servers, including IMAP and POP3. The calendar portion supports both local calendars and network calendars through Microsoft Exchange. Outlook is available on all DECS PC Lab computers and can be installed by DECS on any machine for a minimal fee.