Luthaf / wignersLinks
Calculation of Wigner symbols and related constants
☆11Updated 6 months ago
Alternatives and similar repositories for wigners
Users that are interested in wigners are comparing it to the libraries listed below
Sorting:
- Finite element methods for electronic structure calculations on small systems☆41Updated 2 weeks ago
- Numerical integration grid for molecules.☆50Updated 2 months ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 4 years ago
- ☆28Updated 4 months ago
- python module for performing blocking analysis on data containing serial correlations☆44Updated last year
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆38Updated last week
- Reference implementation of GW☆13Updated 6 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆22Updated last week
- Package to handle integrals over Gaussian-type atomic orbitals.☆32Updated last month
- Modular computation tool chain library☆19Updated this week
- Open source stochastic quantum chemistry☆76Updated 3 weeks ago
- optking: A molecular geometry optimization program☆25Updated 2 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆27Updated 8 months ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 5 years ago
- ☆16Updated 5 months ago
- Reusable DFT Grids for the Masses☆19Updated 2 months ago
- On-the-fly generator of space-group irreducible representations☆56Updated last week
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆19Updated 4 months ago
- A generic solver for Ornstein-Zernike equations from liquid state theory☆14Updated last month
- VASP Syntax for the VIM editor☆11Updated 6 years ago
- TREX I/O library☆61Updated 2 months ago
- Fast, hackable molecular integrals☆12Updated 2 years ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆70Updated last year
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆89Updated this week
- C++ and Python library for Polarizable Embedding☆22Updated 2 weeks ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- A simple Hartree-Fock implementation in Julia☆14Updated 6 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated last month