Title | Supercomputational Science [electronic resource] / edited by R. G. Evans, S. Wilson |
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Imprint | Boston, MA : Springer US, 1990 |
Connect to | http://dx.doi.org/10.1007/978-1-4684-5820-6 |
Descript | 349 p. online resource |
Supercomputers in the Computational Sciences -- Supercomputing on Conventional Architectures -- Supercomputing with Novel Architectures -- Good Programming Techniques I: Testing and the Life Cycle of a Software Product -- Good Programming Techniques II: Test Case Design Methodologies -- Good Programming Techniques III: Non-Computer Based Testing -- Parallel Processing on Shared Memory Multi-User Systems -- Running FORTRAN Programmes in an OCCAM Environment -- Numerical Recipes for Supercomputers -- The NAG Library in a Supercomputing Environment -- Computer Simulation of Plasmas -- Computational Implementation of the R-Matrix Method in Atomic and Molecular Collision Problems -- Multitasking the Householder Diagonalization Algorithm on the CRAY X-MP/48 -- Relativistic Atomic Structure Calculations I: Basic Theory and the Finite Basis Set Approximation -- Relativistic Atomic Structure Calculations II: Computational Aspects of the Finite Basis Set Method -- Vector Processing and Parallel Processing in Many-Body Perturbation Theory Calculations for Electron Correlation Effects in Atoms and Molecules -- Electron Correlation in Small Molecules and the Configuration Interaction Method -- Energy Minimization and Structure Factor Refinement Methods -- Molecular Dynamics Methods -- Molecular Dynamics of Protein Molecules -- Supercomputers in Drug Design -- Path Integral Simulations of Excess Electrons in Condensed Matter -- Computational Methods in Electronic Structure Calculations of Complex Solids -- Implementation of a Numerical Sea Model on a CRAY X-MP Series Computer -- River Flood Prediction: A Study in FORTRAN Optimization -- Supercomputing โ A Forward Look -- Contributors