jjgoings / padeLinks
do the Fourier transform using the method of Padé approximants
☆23Updated last year
Alternatives and similar repositories for pade
Users that are interested in pade are comparing it to the libraries listed below
Sorting:
- Finite element methods for electronic structure calculations on small systems☆41Updated last month
- davidson iterative diagonalizer☆12Updated 4 years ago
- A fully autodifferentiable and variational HF☆42Updated 5 years ago
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- Python library for real space quantum Monte Carlo☆96Updated 2 weeks ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆70Updated last year
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated this week
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated last month
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- ☆55Updated last year
- This is a mirror. Please check our main website on gitlab.☆29Updated last week
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆54Updated this week
- Library for Green’s function based electronic structure theory calculations☆28Updated 2 weeks ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- Material of the seminar "Julia for Materials Modelling"☆30Updated 2 years ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆119Updated 3 years ago
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 6 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 3 years ago
- Open source stochastic quantum chemistry☆76Updated last month
- Mathematical Introduction to Electronic Structure Theory☆47Updated 6 years ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆97Updated 2 months ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆38Updated this week
- On-the-fly generator of space-group irreducible representations☆56Updated last week
- a python package for reduced density matrix techniques☆16Updated 5 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated 2 months ago
- A Python package for wave function-based quantum embedding☆37Updated this week
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆65Updated last week
- Cornell-Holland Ab-initio Materials Package☆17Updated last year