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An adjacency list representation for a graph associates each vertex in the graph with the collection of its neighbouring vertices or edges. There are many variations of this basic idea, differing in the details of how they implement the association between vertices and collections, in how they implement the collections, in whether they include both vertices and edges or only vertices as first ...
Cantera is an open-source chemical kinetics software used for solving chemically reacting laminar flows. It has been used as a third-party library in external reacting flow simulation codes, such as FUEGO and CADS, using Fortran, C++, etc. to evaluate properties and chemical source terms that appear in the application's governing equations.
For external memory algorithms the external memory model by Aggarwal and Vitter [1] is used for analysis. A machine is specified by three parameters: M, B and D.M is the size of the internal memory, B is the block size of a disk and D is the number of parallel disks.
In the example on the left, there are two arrays, C and R. Array C stores the adjacency lists of all nodes. Array R stored the index in C, the entry R[i] points to the beginning index of adjacency lists of vertex i in array C. The CSR is extremely fast because it costs only constant time to access vertex adjacency.
Chemical Computing Group: ms2: Yes Yes Yes Yes Yes No No No No direct on the fly computation of large number of thermophysical properties. Main application of ms2 is on fluids. Free open source: ms-2.de: OpenMM: No No Yes Yes Yes Yes No Yes Yes High Performance MD, highly flexible, Python scriptable Free open source MIT: OpenMM: Orac: No No Yes ...
The adjacency matrix distributed between multiple processors for parallel Prim's algorithm. In each iteration of the algorithm, every processor updates its part of C by inspecting the row of the newly inserted vertex in its set of columns in the adjacency matrix. The results are then collected and the next vertex to include in the MST is ...
List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...
In the analysis of algorithms, the input to breadth-first search is assumed to be a finite graph, represented as an adjacency list, adjacency matrix, or similar representation. However, in the application of graph traversal methods in artificial intelligence the input may be an implicit representation of an infinite graph. In this context, a ...