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The repository contains a C++ code for the quantum molecular dynamics of the hydrogen molecule. The code can be found in the folder CODE, while a discussion of the outputs and the algorithms employed can be found in the REPORT folder.
In this repository, you will find a serial, shared-memory parallel, distributed-memory parallel and hybrid implementations of the conjugate gradient optimization simulation. This is a sparse linear solver optimized using the second-order poisson equation.
Fast routines for solving large systems of linear equations in R. Makes Eigen Cholesky-, LU-, QR-, and iterative (Conjugate Gradient, BiCGSTAB) solvers for both dense and sparse problems available.
R package for solving system of linear equations using (preconditioned) conjugate gradient algorithm, with improved efficiency using C++ Armadillo linear algebra library, and flexibility for user-specified preconditioning method.