jturney / ambitLinks
C++ library for the implementation of tensor product calculations through a clean, concise user interface.
☆23Updated last year
Alternatives and similar repositories for ambit
Users that are interested in ambit are comparing it to the libraries listed below
Sorting:
- TREX I/O library☆55Updated this week
- MolSSI Integral Reference Project☆25Updated 4 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Open source stochastic quantum chemistry☆76Updated 3 weeks ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆36Updated this week
- ERKALE -- HF/DFT from Hel☆50Updated last month
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated 3 weeks ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last month
- optking: A molecular geometry optimization program☆23Updated this week
- ☆58Updated last month
- Reusable DFT Grids for the Masses☆16Updated last year
- MultiResolution Chemistry☆34Updated 3 months ago
- An API for the Polarizable Continuum Model☆34Updated 2 years ago
- Numerical integration grid for molecules.☆50Updated 9 months ago
- ☆21Updated last month
- Coupled-cluster package written in Python.☆43Updated 2 months ago
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated this week
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆60Updated 2 years ago
- Open Source Exascale Computational Chemistry Software☆26Updated 3 weeks ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated last month
- An optimized libcint branch for X86 architecture☆29Updated 3 months ago
- C++ and Python library for Polarizable Embedding☆22Updated 11 months ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆61Updated 3 weeks ago
- Quantum Package : a programming environment for wave function methods☆76Updated this week
- A Python package for wave function-based quantum embedding☆34Updated this week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 3 weeks ago
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆72Updated last year
- This is a mirror. Please check our main website on gitlab.☆29Updated last week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year