jjgoings / padeLinks
do the Fourier transform using the method of Padé approximants
☆22Updated 8 months ago
Alternatives and similar repositories for pade
Users that are interested in pade are comparing it to the libraries listed below
Sorting:
- This is a mirror. Please check our main website on gitlab.☆29Updated 2 months ago
- Finite element methods for electronic structure calculations on small systems☆39Updated 3 weeks ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆36Updated 2 months ago
- davidson iterative diagonalizer☆12Updated 4 years ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆29Updated last year
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- A modular electronic structure theory code☆21Updated 6 years ago
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆39Updated 2 years ago
- gammcor code☆11Updated 5 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆51Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆27Updated this week
- ☆53Updated 10 months ago
- MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics☆15Updated 10 months ago
- Wave-function analysis tool library☆27Updated 9 months ago
- Automatic MR based on PySCF☆14Updated last month
- Dyson equation solvers for Green's function methods☆10Updated last month
- A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)☆20Updated 3 years ago
- MPI parallelization for PySCF☆34Updated 8 months ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated last week
- ☆30Updated 5 years ago
- Molecular and crystal electromagnetic properties☆20Updated 2 months ago
- On-the-fly generator of space-group irreducible representations☆52Updated this week
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated this week
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- ☆30Updated 10 months ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆67Updated 10 months ago
- Draft for my book about implementing density functional theory☆19Updated 3 months ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 4 years ago
- Reusable DFT Grids for the Masses☆16Updated last year
- Mathematica modules for electronic structure calculations☆34Updated last year