hgaburton / libgnme
A C++ library for evaluating non-orthogonal matrix elements in electronic structure
☆24Updated last month
Alternatives and similar repositories for libgnme:
Users that are interested in libgnme are comparing it to the libraries listed below
- ☆11Updated last month
- SOC integrals generator with atomic mean field approximation☆9Updated 5 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 10 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Reference implementation of GW☆13Updated 5 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 9 months ago
- A Python package for wave function-based quantum embedding☆34Updated this week
- Cornell-Holland Ab-initio Materials Package☆15Updated 7 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated this week
- Library for local orbital scaling correction (LOSC).☆16Updated 8 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆20Updated 2 years ago
- Dyson equation solvers for electron propagator methods☆10Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- GMTKN test sets in python☆10Updated 3 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last month
- OpenRSP: open-ended response theory.☆16Updated 4 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
- ☆11Updated 7 months ago
- Coupled-cluster package written in Python.☆38Updated this week
- Open Orbital Optimizer☆13Updated this week
- An example to implement PBC SCF☆13Updated 6 years ago
- Automatic equation of motion coupled cluster generator☆16Updated last year
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆14Updated 8 months ago
- A tutorial for beginners to write quantum chemistry programs with cpp.☆9Updated last year
- Reusable DFT Grids for the Masses☆15Updated last year
- Hartree-Fock Python☆17Updated 2 years ago
- Set of tools for trexio files☆19Updated last week