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RSchr-5 download for Linux

Free download RSchr-5 Linux app to run online in Ubuntu online, Fedora online or Debian online

This is the Linux app named RSchr-5 whose latest release can be downloaded as rschr-5.9.0.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.

Download and run online this app named RSchr-5 with OnWorks for free.

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RSchr-5


DESCRIPTION

RSchr-5 calculates the smallest eigenvalues of the one-electron Schrödinger equation.

The solved problem is defined on the finite domain, which is a box. The problem is solved with the zero Dirichlet boundary conditions.

The implemented algorithm uses Finite Element Method with B-splines as basis functions. Disctretization leads to generalized eigenvalue problem.

Program RSchr-5 solves the generalized eigenvalue problem by algorithms implemented in SLEPc amd PETSc libraries. It uses Krylov-Schur algorithm from SLEPc library.

The program is implemented in C++.

The implementation is based on Message Passing Interface (MPI).



Features

  • Finite Element Method
  • Schrödinger equation
  • MPI
  • C++


Audience

Science/Research, Education, Advanced End Users


User interface

Command-line


Programming Language

C++


Categories

Molecular Science, Simulations, Physics

This is an application that can also be fetched from https://sourceforge.net/projects/rschr-5/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.


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