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.
Contents
- 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
API
- VAMPyR
FilterInterpolatingBasisIteratorLegendreBasisPolynomialScalingBasisScalingFunctionTraverseWaveletFunctionmrcpp_version()- 1-dimensional bindings
- VAMPyR 1D
ABGVDerivativeBSDerivativeBoundingBoxConvolutionOperatorDerivative()DerivativeOperatorFunctionMapFunctionNodeFunctionTreeGaussExpGaussFuncGaussianIdentityConvolutionMWNodeMWTreeMultiResolutionAnalysisNodeIndexPHDerivativeRepresentableFunctionScalingProjectorTimeEvolutionOperatorTreeIteratorWaveletProjectorZeroTree()divergence()dot()gradient()prod()sum()
- 2-dimensional bindings
- VAMPyR 2D
ABGVDerivativeBSDerivativeBoundingBoxConvolutionOperatorDerivative()DerivativeOperatorFunctionMapFunctionNodeFunctionTreeGaussExpGaussFuncGaussianIdentityConvolutionMWNodeMWTreeMultiResolutionAnalysisNodeIndexPHDerivativeRepresentableFunctionScalingProjectorTreeIteratorWaveletProjectorZeroTree()divergence()dot()gradient()prod()sum()
- 3-dimensional bindings
- VAMPyR 3D
ABGVDerivativeBSDerivativeBoundingBoxCartesianConvolutionConvolutionOperatorDerivative()DerivativeOperatorFunctionMapFunctionNodeFunctionTreeGaussExpGaussFuncGaussianHelmholtzOperatorIdentityConvolutionMWNodeMWTreeMultiResolutionAnalysisNodeIndexPHDerivativePoissonOperatorRepresentableFunctionScalingProjectorTreeIteratorWaveletProjectorZeroTree()divergence()dot()gradient()prod()sum()
Reference