DrudgeCAS / drudgeLinks
CAS based on sympy focusing on tensor and noncommutative algebras
☆21Updated 2 months ago
Alternatives and similar repositories for drudge
Users that are interested in drudge are comparing it to the libraries listed below
Sorting:
- Open source stochastic quantum chemistry☆76Updated last month
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆49Updated 2 years ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- ☆55Updated 2 months ago
- Quantum Package : a programming environment for wave function methods☆76Updated 3 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 2 weeks ago
- Materials used in a school on QMC methods☆26Updated 6 years ago
- The mainline development distribution for QWalk☆35Updated 5 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 7 months ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated last week
- adcc: Seamlessly connect your program to ADC☆37Updated 2 weeks ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- Basic numerical tensor algebra library for distributed heterogeneous HPC platforms☆17Updated 2 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- Quantum Monte Carlo package, TurboRVB☆31Updated last week
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 6 months ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 months ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 4 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Coupled-cluster package written in Python.☆44Updated 3 weeks ago
- Donostia Natural Orbital Functional Software☆20Updated 9 months ago
- Reference implementation of GW☆13Updated 6 years ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆34Updated 2 years ago
- TREX I/O library☆58Updated last week
- Software package to handle the many-fermionic operator☆15Updated 12 years ago