TREX-CoE / qmckl
Quantum Monte Carlo Kernel Library
☆34Updated 3 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for qmckl
- Set of tools for trexio files☆19Updated 2 weeks ago
- TREX I/O library☆49Updated this week
- QMC=Chem version 2☆19Updated 2 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 4 months ago
- AiiDA plugin for Quantum Package 2.0☆12Updated 5 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated last week
- Finite element methods for electronic structure calculations on small systems☆34Updated 3 weeks ago
- Automatic equation of motion coupled cluster generator☆15Updated last year
- Repository for PseudopotentialLibrary.org website and database☆14Updated 4 months ago
- Library for local orbital scaling correction (LOSC).☆15Updated 4 months ago
- I can't believe it's NonAbelian!☆13Updated this week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆39Updated 6 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆24Updated 11 months ago
- Code generator for simint vectorized integrals☆28Updated last year
- GW100 data repository and post processing tools☆11Updated 11 months ago
- Quantum Package : a programming environment for wave function methods☆71Updated 3 weeks ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 3 weeks ago
- A Python package for wave function-based quantum embedding☆33Updated last month
- Reference implementation of GW☆13Updated 5 years ago
- An API for the Polarizable Continuum Model☆33Updated last year
- GMTKN test sets in python☆9Updated 2 years ago
- Mathematica modules for electronic structure calculations☆26Updated last year
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- Coupled-cluster package written in Python.☆27Updated last week
- MolSSI Integral Reference Project☆24Updated 3 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆33Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆43Updated 5 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆27Updated 2 months ago
- ☆13Updated 3 months ago