MADNESS  version 0.9
Modules | Files
Collaboration diagram for Examples:

Modules

 molecular MP2 equations
 
 compute the dielectric cavity and the electrostatic potential of solute in solvent
 
 Solves the 3D harmonic oscillator
 
 Illustrates general composition of two functions
 
 Data and load balancing
 
 Poisson's equation in a dielectric medium
 
 Laplace's equations for dielectric sphere in an external field
 
 Example of function I/O from getting started guide
 
 Hartree-Fock equations for the hydrogen molecule
 
 Energy of the hydrogen atom ground state
 
 Solves heat equation using the Green's function
 
 Evolve in time 3D heat equation with a linear term
 
 Hartree-Fock equations for the helium atom
 
 Solves the two-particle system exactly
 
 Hello world MADNESS style
 
 Solves a Navier-Stokes equation
 
 Solves a 1D nonlinear Schrödinger equation
 
 Simple Krylov-subspace nonlinear equation solver
 
 Demonstrates/tests use of 3D shape functions
 
 First example from getting started guide
 
 Spectral propagator in time using semigroup approach
 
 Solves a 1D time-dependent Schrödinger equation using splitting and semi-group approaches with the free-particle propagator.
 

Files

file  hatom_1d.cc
 Solves the Schrodinger equation for the 1-d hydrogen atomThe Hartree-Fock wave function is computed for the hydrogen atom in one dimension without using symmetry.
 
file  vnucso.cc
 Solves the spin-orbit nuclear potential problem.
 

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