MatthewRHermes / mrhLinks
MRH's research code
☆25Updated 2 weeks ago
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.☆46Updated 2 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated 2 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆33Updated last month
- ☆12Updated 9 months ago
- Donostia Natural Orbital Functional Software☆21Updated last month
- ☆60Updated 5 months ago
- SOC integrals generator with atomic mean field approximation☆10Updated 4 months ago
- ☆60Updated 5 months ago
- Pythonic electronic structure theory.☆21Updated last week
- ☆40Updated last year
- Correlation consistent Gaussian basis sets for solids☆24Updated 6 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- A Python package for wave function-based quantum embedding☆37Updated last week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆54Updated 2 weeks ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- systematic molecular fragmentation by annihilation☆11Updated 6 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆44Updated 7 months ago
- ☆13Updated last month
- Hartree-Fock Python☆20Updated 2 years ago
- Amateurish molecular electronic structure program.(for linux)☆23Updated 9 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 8 years ago
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆19Updated 2 weeks ago
- I can't believe it's NonAbelian!☆30Updated 4 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated 2 weeks ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 3 weeks ago
- QMC=Chem version 2☆19Updated last month