MatthewRHermes / mrhLinks
MRH's research code
☆25Updated this week
Alternatives and similar repositories for mrh
Users that are interested in mrh are comparing it to the libraries listed below
Sorting:
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Coupled-cluster package written in Python.☆43Updated 2 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last month
- adcc: Seamlessly connect your program to ADC☆37Updated last week
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- ☆13Updated 2 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- ☆11Updated 6 months ago
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- Open Orbital Optimizer☆24Updated last week
- An example to implement PBC SCF☆14Updated 7 years ago
- ☆32Updated 10 months ago
- ☆59Updated last month
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- QMC=Chem version 2☆19Updated last month
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆36Updated 3 months ago
- Amateurish molecular electronic structure program.(for linux)☆23Updated 8 years ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 3 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last month
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆43Updated 2 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆38Updated last week
- Reusable DFT Grids for the Masses☆16Updated last year
- ☆55Updated 2 months ago