ValeevGroup / libintxLinks
☆20Updated 5 months ago
Alternatives and similar repositories for libintx
Users that are interested in libintx are comparing it to the libraries listed below
Sorting:
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆34Updated last week
- Reusable DFT Grids for the Masses☆16Updated last year
- An example to implement PBC SCF☆14Updated 6 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated 2 months ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated 2 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆15Updated 2 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last month
- Open Orbital Optimizer☆22Updated last week
- ☆11Updated this week
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 11 months ago
- MRH's research code☆25Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Open Source Exascale Computational Chemistry Software☆25Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆19Updated last week
- A Python package for wave function-based quantum embedding☆34Updated 2 weeks ago
- I can't believe it's NonAbelian!☆20Updated 2 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- Repository for PseudopotentialLibrary.org website and database☆15Updated 11 months ago
- Library for local orbital scaling correction (LOSC).☆16Updated 11 months ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 9 months ago
- Coupled-cluster package written in Python.☆39Updated 2 weeks ago
- ☆10Updated 3 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated this week
- ☆51Updated 4 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 11 months ago
- Reference implementation of GW☆13Updated 5 years ago
- TREX I/O library☆51Updated 2 weeks ago