MADNESS
0.10.1
Modules
Here is a list of all modules:
[detail level
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2
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4
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MADNESS installation and configuration
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Contributing to MADNESS
MADNESS coding style
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Getting started with MADNESS
MADNESS basics
Compiling and running MADNESS programs
MADNESS functions
Input/Output
Load and memory balancing
Thinking in MADNESS
MADNESS environment variables
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MADNESS libraries
Containers
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Parallel programming environment
Distributed computing environment (World and its relations)
Interfaces from World to MPI
Globally addressable objects (WorldObject)
Futures
Serialization
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Multi-threading
Atomic operations
Threads
Task queue
Chemistry
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Examples
Getting Started
Miscellaneous
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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
The molecular density functional and Hartree-Fock code
The molecular density funcitonal response code
molecular MP2 equations
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
compute the dielectric cavity and the electrostatic potential of hydrogen atom in water
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
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.
The molecular density functional and Hartree-Fock code
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Mra
Simple Krylov-subspace nonlinear equation solver
Function
Tensor
Worlddc
Hashing
Mutexes
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1.9.1