Modules

Here is a list of all modules:

• Example documentation with doxygen
  • Example subgroup documentation
• MADNESS applications
  • Examples
    • Data and load balancing
    • Demonstrates/tests use of 3D shape functions
    • Energy of the hydrogen atom ground state
    • Evolve in time 3D heat equation with a linear term
    • Example of function I/O from getting started guide
    • First example from getting started guide
    • Hartree-Fock equations for the helium atom
    • Hartree-Fock equations for the hydrogen molecule
    • Hello world MADNESS style
    • Illustrates general composition of two functions
    • Laplace's equations for dielectric sphere in an external field
    • Poisson's equation in a dielectric medium
    • Simple Krylov-subspace nonlinear equation solver
    • Solves a 1D nonlinear Schrödinger equation
    • Solves a 1D time-dependent Schrödinger equation using splitting and semi-group approaches with the free-particle propagator.
    • Solves a Navier-Stokes equation
    • Solves heat equation using the Green's function
    • Solves the 3D harmonic oscillator
    • Spectral propagator in time using semigroup approach
    • compute the dielectric cavity and the electrostatic potential of hydrogen atom in water
  • Periodic Solver
• MADNESS installation and configuration
• MADNESS libraries
  • Iterative solvers for linear/non-linear equations and optimizers
  • Linear algebra (interface to LAPACK)
  • Miscellany
  • Multiresolution analaysis
    • Exterior boundary conditions
    • Function
    • Function plotting routines
    • Preliminary support for interior boundary conditions
  • Parallel programming environment
    • Distributed computing environment (World and its relations)
    • Distributed containers (WorldContainer)
    • Futures
    • Globally addressable objects (WorldObject)
    • Hashing
    • Interfaces from World to MPI
    • Multi-threading
      • Atomic operations
      • Concurrent hash table
      • Mutexes
      • Task queue
      • Thread pool
      • Threads
    • Remote method invocation
    • Serialization
  • Tensors or multidimension arrays
• The molecular density funcitonal and Hartree-Fock code