MADNESS
version 0.9
Main Page
Related Pages
Modules
Namespaces
Classes
Files
Modules
Here is a list of all modules:
[detail level
1
2
3
4
]
The molecular density funcitonal and Hartree-Fock code
▼
Example documentation with doxygen
Example subgroup documentation
MADNESS installation and configuration
▼
MADNESS libraries
▼
Parallel programming environment
Distributed computing environment (World and its relations)
Remote method invocation
Interfaces from World to MPI
Globally addressable objects (WorldObject)
Distributed containers (WorldContainer)
Futures
Serialization
Hashing
▼
Multi-threading
Mutexes
Atomic operations
Threads
Thread pool
Task queue
Concurrent hash table
▼
Multiresolution analaysis
Function plotting routines
Exterior boundary conditions
Preliminary support for interior boundary conditions
Function
Tensors or multidimension arrays
Linear algebra (interface to LAPACK)
Iterative solvers for linear/non-linear equations and optimizers
Miscellany
▼
MADNESS applications
Periodic Solver
The Periodic Solver group is a group that contains the software objects that are needed to solve a periodic Kohn-Sham hamiltonian
▼
Examples
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.
Generated on Fri Sep 26 2014 10:43:37 for MADNESS by
1.8.8