Luthaf / wigners
Calculation of Wigner symbols and related constants
☆11Updated last month
Alternatives and similar repositories for wigners:
Users that are interested in wigners are comparing it to the libraries listed below
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 3 years ago
- Code generator for simint vectorized integrals☆28Updated last year
- Modular computation tool chain library☆17Updated 2 months ago
- Numerical integration grid for molecules.☆49Updated 3 months ago
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Updated 6 years ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated 7 months ago
- A simple Hartree-Fock implementation in Julia☆13Updated 5 years ago
- Material of the seminar "Julia for Materials Modelling"☆30Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 7 months ago
- ☆27Updated 3 weeks ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆33Updated this week
- Reference implementation of GW☆13Updated 5 years ago
- Fast, hackable molecular integrals☆12Updated last year
- Resources for teaching quantum chemistry courses in Bonn☆36Updated 7 months ago
- A research-grade quantum chemistry program written in Julia☆64Updated 3 years ago
- Finite element methods for electronic structure calculations on small systems☆35Updated 2 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆20Updated 4 years ago
- Fast computation of a gaussian and its derivative on a grid.☆29Updated 8 months ago
- Julia bindings to the libxc library for exchange-correlation functionals☆22Updated 2 months ago
- Reusable DFT Grids for the Masses☆14Updated last year
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆59Updated this week
- A continuous-time hybridization-expansion Monte Carlo code for calculating n-particle Green's functions of the Anderson impurity model an…☆50Updated 4 months ago
- Julia Bindings for Atomic Simulation Environment☆36Updated 4 years ago
- optking: A molecular geometry optimization program☆23Updated 3 weeks ago
- ☆18Updated last week
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- Draft for my book about implementing density functional theory☆18Updated this week
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆57Updated last week
- Yet Another extended Hueckel Molecular Orbital Package☆20Updated 9 months ago