VAMPyR-1.0 (or future) wishlist
Opened this issue ยท 3 comments
stigrj commented
Dear ๐
Please edit and add new features at will (not saying everything should be implemented for v1
):
- More user friendly MRA initialization, e.g.
world_size = [-20, 20]**3
- Function plotting (line, surface, cube)
- Function printing, what should be displayed with
print(tree)
? - Basis visualization
- scaling and wavelet functions
- two-scale relations
- dilation and translation of functions
- Features to build your own wavelet code
- extract filter matrices
- Legendre polynomials
- Tree/grid visualization
- any ideas?
- ASCII art for 1D trees?
- existing Python library?
- Difference plots
- functions/differences at different resolution levels
- plot wavelet information content as function of scale
- New operators
- convolution operator from arbitrary 1D Gaussian expansion (examples?)
- other 1D operators (e.g. exponential operator for solving the heat equation and Burger's equation, see ABGV)
- brute-force projection of any kind of non-separable operator?
- Use scikit-build to build: https://scikit-build.readthedocs.io/en/latest/
- Documented test-cases
- H-atom
- ZORA
- generalized poisson
- Interface documentation
- Deep copy
- Generic kernel G(x-y) which takes vector of functions g_i(x) such that G(x) = \sum_i g_i(x)
- Resolve fast vs accurate dilemma for FunctionTree evaluation
- Handling of complex functions (separate trees for Real and Imaginary part)
- Add call function to operators,
g_tree = P(f_tree)
- New
MWProjector
class which enablesf_tree = Q(func);
robertodr commented
- [ ] Use scikit-build to build: https://scikit-build.readthedocs.io/en/latest/
robertodr commented
- Operator overloading for most common form of operations. For example:/
.def("__add__", [](FunctionTree<D>& tree_a, FunctionTree<D>& tree_b) { /* code here */ }, py::is_operator());
robertodr commented
- KAIN and DIIS implementation.