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.
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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
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.
