hgaburton / libgnmeLinks
A C++ library for evaluating non-orthogonal matrix elements in electronic structure
☆25Updated 4 months ago
Alternatives and similar repositories for libgnme
Users that are interested in libgnme are comparing it to the libraries listed below
Sorting:
- Correlation consistent Gaussian basis sets for solids☆23Updated last month
- ☆13Updated 3 weeks ago
- OpenRSP: open-ended response theory.☆16Updated 4 years ago
- Reference implementation of GW☆13Updated 5 years ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- Cornell-Holland Ab-initio Materials Package☆16Updated 11 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated last year
- Set of tools for trexio files☆19Updated last week
- SOC integrals generator with atomic mean field approximation☆10Updated 2 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last year
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 3 weeks ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 2 months ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆35Updated 2 weeks ago
- Reusable DFT Grids for the Masses☆16Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- Coupled-cluster package written in Python.☆41Updated last month
- QMC=Chem version 2☆19Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆27Updated this week
- A tutorial for beginners to write quantum chemistry programs with cpp.☆9Updated last year
- A library of density matrix embedding theory (DMET).☆36Updated 5 months ago
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago
- Open Orbital Optimizer☆24Updated last week