Welcome to VAMPyR documentation!#
VAMPyR is a Python overlay to the MRCPP library. Through VAMPyR, the general-purpose mathematical tools of MRCPP are then available for simple scripting and code prototyping.
Check out the Usage section for further information, including how to Installation the project.
Note
This documentation is under construction.
- Usage
- Introduction
- Making the MRA
- Projecting a function onto the MRA
- Function representations
- An introduction to scaling and wavelet functions
- Scaling Projectors
- Wavelet Projectors
- The Poisson equation
- The Helmholtz equation
- Hydrogen atom
- Helium atom
- Beryllium atom
- Polarizable continuum model (PCM)
- The Schrödinger equation
- VAMPyR
Filter
InterpolatingBasis
Iterator
LegendreBasis
Polynomial
ScalingBasis
ScalingFunction
Traverse
WaveletFunction
mrcpp_version()
- 1-dimensional bindings
- VAMPyR 1D
ABGVDerivative
BSDerivative
BoundingBox
ConvolutionOperator
Derivative()
DerivativeOperator
FunctionMap
FunctionNode
FunctionTree
GaussExp
GaussFunc
Gaussian
IdentityConvolution
MWNode
MWTree
MultiResolutionAnalysis
NodeIndex
PHDerivative
RepresentableFunction
ScalingProjector
TimeEvolutionOperator
TreeIterator
WaveletProjector
ZeroTree()
divergence()
dot()
gradient()
prod()
sum()
- 2-dimensional bindings
- VAMPyR 2D
ABGVDerivative
BSDerivative
BoundingBox
ConvolutionOperator
Derivative()
DerivativeOperator
FunctionMap
FunctionNode
FunctionTree
GaussExp
GaussFunc
Gaussian
IdentityConvolution
MWNode
MWTree
MultiResolutionAnalysis
NodeIndex
PHDerivative
RepresentableFunction
ScalingProjector
TreeIterator
WaveletProjector
ZeroTree()
divergence()
dot()
gradient()
prod()
sum()
- 3-dimensional bindings
- VAMPyR 3D
ABGVDerivative
BSDerivative
BoundingBox
CartesianConvolution
ConvolutionOperator
Derivative()
DerivativeOperator
FunctionMap
FunctionNode
FunctionTree
GaussExp
GaussFunc
Gaussian
HelmholtzOperator
IdentityConvolution
MWNode
MWTree
MultiResolutionAnalysis
NodeIndex
PHDerivative
PoissonOperator
RepresentableFunction
ScalingProjector
TreeIterator
WaveletProjector
ZeroTree()
divergence()
dot()
gradient()
prod()
sum()