DrudgeCAS / drudgeLinks
CAS based on sympy focusing on tensor and noncommutative algebras
☆21Updated last month
Alternatives and similar repositories for drudge
Users that are interested in drudge are comparing it to the libraries listed below
Sorting:
- Basic numerical tensor algebra library for distributed heterogeneous HPC platforms☆17Updated 2 years ago
- Mathematica modules for electronic structure calculations☆34Updated last year
- Open source stochastic quantum chemistry☆76Updated 2 months ago
- Automatic equation of motion coupled cluster generator☆16Updated last year
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- Quantum Package : a programming environment for wave function methods☆74Updated last week
- Materials used in a school on QMC methods☆26Updated 5 years ago
- Reference implementation of GW☆13Updated 5 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated 3 weeks ago
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Updated 7 years ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- The mainline development distribution for QWalk☆35Updated 5 years ago
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- ☆53Updated last month
- Coupled-cluster package written in Python.☆41Updated last month
- many-body perturbation theory without empty states☆12Updated 7 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆47Updated 2 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 5 years ago
- Wave-function analysis tool library☆27Updated 9 months ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- A continuous-time hybridization-expansion Monte Carlo code for calculating n-particle Green's functions of the Anderson impurity model an…☆51Updated 3 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated this week
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- MPI parallelization for PySCF☆34Updated 8 months ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last year
- Cornell-Holland Ab-initio Materials Package☆16Updated 11 months ago
- A library of density matrix embedding theory (DMET).☆36Updated 5 months ago
- PySCF website and documentation☆32Updated this week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago