05064nam 2200661 450 991079102770332120200520144314.01-78398-391-4(CKB)2550000001317563(EBL)1706444(SSID)ssj0001328850(PQKBManifestationID)11795278(PQKBTitleCode)TC0001328850(PQKBWorkID)11303313(PQKB)10000407(Au-PeEL)EBL1706444(CaPaEBR)ebr10886395(CaONFJC)MIL618820(OCoLC)881510167(CaSebORM)9781783983902(MiAaPQ)EBC1706444(PPN)228016568(EXLCZ)99255000000131756320140703h20142014 uy 0engur|n|---|||||txtccrLearning NumPy Array supercharge your scientific Python computations by understanding how to use the NumPy library effectively /Ivan Idris ; Duraid Fatouhi, cover image1st editionBirmingham, England :Packt Publishing,2014.©20141 online resource (164 p.)Community experience distilledIncludes index.1-78398-390-6 1-306-87569-2 Cover; Copyright; Credits; About the Author; About the Reviewers; www.PacktPub.com; Table of Contents; Preface; Chapter 1: Getting Started with NumPy; Python; Installing NumPy, Matplotlib, SciPy, and IPython on Windows; Installing NumPy, Matplotlib, SciPy, and IPython on Linux; Installing NumPy, Matplotlib, and SciPy on Mac OS X; Building from source; NumPy arrays; Adding arrays; Online resources and help; Summary; Chapter 2: NumPy Basics; The NumPy array object; The advantages of using NumPy arrays; Creating a multidimensional array; Selecting array elements; NumPy numerical typesData type objectsCharacter codes; dtype constructors; dtype attributes; Creating a record data type; One-dimensional slicing and indexing; Manipulating array shapes; Stacking arrays; Splitting arrays; Array attributes; Converting arrays; Creating views and copies; Fancy indexing; Indexing with a list of locations; Indexing arrays with Booleans; Stride tricks for Sudoku; Broadcasting arrays; Summary; Chapter 3: Basic Data Analysis with NumPy; Introducing the dataset; Determining the daily temperature range; Looking for evidence of global warming; Comparing solar radiation versus temperatureAnalyzing wind directionAnalyzing wind speed; Analyzing precipitation and sunshine duration; Analyzing monthly precipitation in De Bilt; Analyzing atmospheric pressure in De Bilt; Analyzing atmospheric humidity in De Bilt; Summary; Chapter 4: Simple Predictive Analytics with NumPy; Examining autocorrelation of average temperature with pandas; Describing data with pandas DataFrames; Correlating weather and stocks with pandas; Predicting temperature; Autoregressive model with lag 1; Autoregressive model with lag 2; Analysing intra-year daily average temperaturesIntroducing the day-of-the-year temperature modelModeling temperature with the SciPy leastsq function; Day-of-year temperature take two; Moving-average temperature model with lag 1; The Autoregressive Moving Average temperature model; The time-dependent temperature mean adjusted autoregressive model; Outliers analysis of average De Bilt temperature; Using more robust statistics; Summary; Chapter 5: Signal Processing Techniques; Introducing the Sunspot data; Sifting continued; Moving averages; Smoothing functions; Forecasting with an ARMA model; Filtering a signal; Designing the filterDemonstrating cointegrationSummary; Chapter 6: Profiling, Debugging, and Testing; Assert functions; The assert_almost_equal function; Approximately equal arrays; The assert_array_almost_equal function; Profiling a program with IPython; Debugging with IPython; Performing Unit tests; Nose tests decorators; Summary; Chapter 7: The Scientific Python Ecosystem; Numerical integration; Interpolation; Using Cython with NumPy; Clustering stocks with scikit-learn; Detecting corners; Comparing NumPy to Blaze; Summary; IndexA step-by-step guide, packed with examples of practical numerical analysis that will give you a comprehensive, but concise overview of NumPy. This book is for programmers, scientists, or engineers, who have basic Python knowledge and would like to be able to do numerical computations with Python. Python (Computer program language)Numerical analysisData processingPython (Computer program language)Numerical analysisData processing.005.133Idris Ivan1465610Fatouhi DuraidMiAaPQMiAaPQMiAaPQBOOK9910791027703321Learning NumPy Array3826350UNINA04918nam 22006135 450 991025402790332120251116150543.03-319-29022-310.1007/978-3-319-29022-5(CKB)3710000000649157(EBL)4509220(SSID)ssj0001665706(PQKBManifestationID)16454777(PQKBTitleCode)TC0001665706(PQKBWorkID)15000383(PQKB)10798089(DE-He213)978-3-319-29022-5(MiAaPQ)EBC4509220(PPN)193444763(EXLCZ)99371000000064915720160419d2016 u| 0engur|n|---|||||txtccrApplications of Topological Methods in Molecular Chemistry /edited by Remi Chauvin, Christine Lepetit, Bernard Silvi, Esmail Alikhani1st ed. 2016.Cham :Springer International Publishing :Imprint: Springer,2016.1 online resource (582 p.)Challenges and Advances in Computational Chemistry and Physics,2542-4491 ;22Description based upon print version of record.3-319-29020-7 Includes bibliographical references at the end of each chapters and index.Part I. Topological Methods : Definition, State of the Art and Prospects -- 1. On quantum chemical topology -- 2. Localization-Delocalization and Electron Density-Weighted Connectivity Matrices: A Bridge Between the Quantum Theory of Atoms in Molecules and Chemical Graph Theory -- 3. Extending the Topological Analysis and Seeking the Real-Space Subsystems: The Case of Non-Coulombic Systems with Homogenous Potential Energy Functions -- 4. Exploring Chemistry Through the Source Function for the Electron and Spin Densities -- 5. Emergent Scalar and Vector Fields in Quantum Chemical Topology -- 6. Topology of Quantum Mechanical Current Density Vector Fields Induced in a Molecule by Static Magnetic Perturbations -- 7. Topological Analysis of the Fukui Function -- 8. Topological Tools for the Study of Families of Reaction Mechanisms: the Fundamental Groups of Potential Surfaces in the Universal Molecule Context -- 9. Quantum Chemical Topology Approach for Dissecting Chemical Structure and Reactivity -- Part II. Topological Methods for the Characterization of π-Electron Delocalization and Aromaticity -- 10. Paradise Lost - π-Electron Conjugation in Homologs and Derivatives of Perylene -- 11. Rules of Aromaticity -- 12. Localized Structures at the Hückel Level, a Hückel-Derived Valence Bond Method -- 13. Magnetic Properties of Conjugated Hydrocarbons from Topological Hamiltonians -- Part III. Topological Methods for the Characterization of Weak Bonding Interactions -- 14. What Can be Learnt from a Location of Bond Paths and from Electron Density Distribution? -- 15. Following Halogen Bonds Formation with Bader’s Atoms-in-Molecules Theory -- 16. Charge Transfer in Beryllium Bonds and Cooperativity of Beryllium and Halogen Bonds -- 17. A Complete NCI Perspective: From New Bonds to Reactivity -- 18. Diversity of the Nature of the Nitrogen-Oxygen Bond in Inorganic and Organic Nitrites in the Light of Topological Analysis of Electron Localisation Function (ELF) -- 19. Quantum Chemical Topology in the Field of Quasirelativistic Quantum Calculations. .This is the first edited volume that features two important frameworks, Hückel and quantum chemical topological analyses. The contributors, which include an array of academics of international distinction, describe recent applications of such topological methods to various fields and topics that provide the reader with the current state-of-the-art and give a flavour of the wide range of their potentialities.Challenges and Advances in Computational Chemistry and Physics,2542-4491 ;22Chemistry, Physical and theoreticalTopologyTheoretical and Computational Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C25007Topologyhttps://scigraph.springernature.com/ontologies/product-market-codes/M28000Chemistry, Physical and theoretical.Topology.Theoretical and Computational Chemistry.Topology.540Chauvin Remiedthttp://id.loc.gov/vocabulary/relators/edtLepetit Christineedthttp://id.loc.gov/vocabulary/relators/edtSilvi Bernardedthttp://id.loc.gov/vocabulary/relators/edtAlikhani Esmailedthttp://id.loc.gov/vocabulary/relators/edtBOOK9910254027903321Applications of Topological Methods in Molecular Chemistry2509381UNINA