Gaussian software
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1) The document discusses using the Gaussian and GaussView software packages for computational chemistry. 2) It provides an overview of the capabilities of Gaussian, such as calculating energies using different methods like semiempirical, HF, DFT, MP, CI, and CC. 3) The document outlines some topics that will be covered, including preparing input files in GaussView, running jobs on servers, viewing output, and doing hands-on experiments.
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Gaussian is capable of performing several quantum chemical calculations including molecular energies, geometry optimization, vibrational frequencies, NMR properties, potential energy surfaces, and reaction pathways. It takes a Gaussian input file specifying the calculation type, theory, basis set, coordinates, etc. Common calculation types include single point energy, geometry optimization, and vibrational frequency. The output file provides optimized geometry, frequencies, energies, and other molecular properties.
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This document provides an introduction to steganography. It defines steganography as concealing a file within another file by hiding information in images, audio, or video. The document outlines the history of steganography and its applications. It also discusses basic terminology, fields related to information hiding, steganalysis, and some common steganography tools. The document concludes with describing steganographic techniques such as least significant bit substitution and exercises for readers.
Classical Encryption Techniques
The document discusses classical encryption techniques, including symmetric encryption which uses the same key for encryption and decryption. It describes ciphers like the Caesar cipher which substitutes letters by shifting the alphabet, the monoalphabetic cipher with one substitution table, and the polyalphabetic Vigenère cipher which uses multiple substitution alphabets. The document also covers the Playfair cipher which encrypts letters in pairs using a 5x5 keyword matrix, and discusses cryptanalysis techniques for breaking classical ciphers.
Activites and Time Planning
This document discusses activities and time planning for software project management. It defines key project management terms like project, work breakdown structure, and knowledge areas. It also discusses the importance of project management given the poor track record of many IT projects. Effective project management can help deliver projects on time, on budget and meeting requirements through techniques like developing a work breakdown structure, defining roles and responsibilities, and managing scope, schedule, costs, quality and risks.
OSI Security Architecture
The document discusses the OSI security architecture and common network security threats and defenses. It begins with an introduction to the OSI security architecture proposed by ITU-T as a standard for defining and providing security across network layers. It then discusses (1) specific security mechanisms like encryption and digital signatures and pervasive mechanisms like security audits; (2) common passive and active security threats like eavesdropping and denial of service attacks; and (3) that passive attacks focus on prevention while active attacks require detection and recovery. It concludes with exercises asking about these topics.
Network Security Terminologies
The document discusses network security terminology such as threats, attacks, risk analysis, and cryptography. It defines common threats like spoofing, tampering, repudiation, and denial-of-service attacks. The document also outlines the steps for performing risk analysis and includes an exercise asking questions about finding, removing, and preventing vulnerabilities.
Project Scheduling, Planning and Risk Management
This document summarizes key points from Chapter 4 of Ian Sommerville's Software Engineering textbook. It discusses project management, including planning, scheduling, risk management, and the distinctive challenges of managing software projects. Specifically, it notes that good project management is essential for success, planning and estimating are iterative processes, and risk management involves identifying and mitigating potential threats to the project.
Software Testing and Debugging
This document provides an overview of software testing fundamentals. It discusses that software testing is a critical part of quality assurance and aims to identify errors by exercising a program with sample inputs and comparing actual outcomes to expected outcomes. There are different types of testing such as white box testing, which tests internal program structure, and black box testing, which tests external functionality without knowledge of internal structure. The document also outlines testing strategies, techniques for different types of tests, and the importance of testing in the software development process.
ePayment Methods
This document discusses various electronic payment methods. It describes e-payment systems and their importance for e-commerce. Then it outlines different types of e-payment systems including PayPal, Mondex, eBay, Bitcoin, digital wallets, digital cash, online stored value systems, digital accumulating balance payment systems, digital credit accounts, and digital checking. For each type, it provides details on how the system works and examples.
SEO
This document provides an overview of search engine optimization (SEO) including:
- Definitions of key SEO terms like search engines, crawling, indexing, and ranking algorithms.
- The basic SEO process including on-page and off-page optimization techniques.
- On-page optimization elements like titles, meta descriptions, internal links.
- Off-page optimization techniques like link building and social sharing.
- The difference between white hat and black hat SEO strategies.
- An introduction to Google algorithms like Panda, Penguin and Hummingbird.
- Recommended SEO tools to use.
A Star Search
The document discusses the A* search algorithm, which is an informed search or heuristic search algorithm. A* combines the best aspects of uniform cost search and greedy best-first search. It is guaranteed to find the shortest path to the goal, if such a path exists. A* evaluates nodes by using both the path cost from the start node to the current node, plus an estimate of the cost to get from the current node to the goal node. It prioritizes expanding the most promising nodes first, those with the lowest combined cost. A* is optimal and admissible if the heuristic function never overestimates the actual cost to the goal.
Enterprise Application Integration
This document discusses enterprise application integration (EAI). It defines EAI as the unrestricted sharing of data and business processes among any connected applications and data sources in an enterprise. The document outlines EAI architectures including multi-tier architectures with presentation, application, and data tiers. It also discusses middleware, which allows communication across different platforms and between legacy and modern applications. The benefits of EAI include lower development and maintenance costs through looser coupling of systems and quicker integration.
Uml Diagrams
The document discusses the different types of UML diagrams used for modeling software systems. There are two main categories of UML diagrams - structural diagrams, which depict the static elements of a system, and behavioral diagrams, which depict the dynamic behavior and interactions of system components. Some key UML diagram types discussed include class diagrams, component diagrams, deployment diagrams, activity diagrams, sequence diagrams, use case diagrams, and state machine diagrams. The document provides examples and brief explanations of when each diagram type is used.
eDras Max
Edraw Max is a comprehensive diagramming software that allows users to easily create a wide range of professional-looking diagrams, including flowcharts, org charts, network diagrams, and more. It has a large library of vector shapes and templates. The software has an intuitive Office-style interface and is easy to use, even for those with no training. Edraw Max allows users to quickly design diagrams using built-in templates and examples and arrange and style elements for professional results.
RAD Model
This document discusses methods for rapid software development. It covers topics like agile methods, extreme programming, rapid application development, and software prototyping. Some key points made are:
- Rapid development is needed to quickly respond to changing business needs, even if it means lower initial quality.
- Agile methods focus on iterative development and early delivery of working software that can evolve rapidly based on changing requirements.
- Rapid application development uses tools that facilitate rapid creation of interfaces and reports linked to a database.
- Visual programming allows rapid prototyping through a graphical interface but can cause coordination and maintenance issues for large projects.
Microsoft Project
Microsoft Project is a project management software that helps plan, assign resources, track progress, manage budgets, and analyze workloads for projects. It was first released in 1984 and acquired by Microsoft in 1985. The latest version is Microsoft Project 2013. It allows users to create project schedules and budgets, assign resources to tasks, track progress, and keep project teams aligned to complete projects on time and on budget. Microsoft Project provides robust management tools to help users efficiently and effectively manage all aspects of a project throughout its life cycle from planning to closing.
Itertaive Process Development
Iterative development breaks down software development into smaller chunks called iterations. In each iteration, features are designed, developed, and tested, with additional features added in subsequent iterations until a fully functional application is ready. The iterative process follows the ADCOT principles of analysis, design, coding, and testing. It progresses through phases of inception to identify high-level requirements, elaboration to deliver a working architecture, construction to incrementally develop features, and transition to deploy the application. Iterative development allows for backtracking and modifications between iterations, in contrast to the waterfall method which completes each development step in full before moving to the next.
Computer Aided Software Engineering Nayab Awan
The document discusses Computer Aided Software Engineering (CASE) tools. It defines CASE as the use of software tools to assist in software development and maintenance. It outlines that CASE tools can help improve quality, maintenance and project management. The document then describes different types of CASE tools, including diagramming, process modeling, project management, documentation, analysis, design, configuration management, programming, prototyping and quality assurance tools. It concludes that CASE tools can increase productivity, decrease costs and enhance product quality when used appropriately.
Lect 2 assessing the technology landscape
The document discusses various technologies that are shaping the enterprise integration landscape, including legacy systems, data warehousing, enterprise application integration, electronic commerce, web-enabled applications, XML, workflow management, distributed objects, components, UML, digital signatures, wireless devices, knowledge management, agent technology, interactive voice, and model driven architecture. It provides brief descriptions of each technology and some key challenges related to enterprise integration.
system level requirements gathering and analysis
The document discusses the importance of requirements gathering for project success. It notes that 70-80% of project failures can be attributed to poor requirements gathering, analysis, and management. While requirements gathering is critical, it is often overlooked or not allocated enough time. The document provides five key components of effective requirements gathering: clearly defining requirements before scope, identifying project and product requirements, adequately documenting requirements, selecting the right methodology, and engaging diverse users. It emphasizes that requirements gathering lays the foundation for a successful project.
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- 1. Topic Gaussian softwear Submitted To: Sir Inam-ul-haq Submitted By: matlub Roll No.3038 BS(chem) (2014-2018) university of education renala campus
- 2. •Introduction •Capabilities •Input File Preparation •Gaussian GUI – GussView •Run G03 Jobs @ UNC-CH •Some Advanced Topics •Hands-on Experiments next hour university of education renala campus
- 3. • What Gaussian/GaussView packages are • How to prepare input files via GaussView • How to run G03 jobs on UNC-CH servers • How to view G03 results • Learn selected advanced topics • Hands-on experiments Course Goal university of education renala campus
- 4. •Basic UNIX knowledge •Introduction to Scientific Computing •An account on Emerald Pre-requisites university of education renala campus
- 5. •Support Computational Chemistry/Physics/Material Science software •Support Programming (FORTRAN/C/C++) tools, code porting, parallel computing, etc. •Training, Workshops/Short Courses – currently 4, one more to come soon •Conduct research and engagement projects in Computational Chemistry About Myself university of education renala campus
- 6. About You •Name, department, group, interest? •Any experience before with Gaussian or GaussView? •What do you expect to use them? What kind of systems? university of education renala campus
- 7. Gaussian & GaussView • Gaussian is a general purpose electronic structure package for use in computational chemistry. Current version 03 E01. • Most widely used computational chemistry package. The latest release is version 2009. • GaussView is a graphical user interface (GUI) designed to be used with Gaussian to make calculation preparation and output analysis easier, quicker and more efficient. university of education renala campus
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