SinaMostafanejad / OpenRDMLinks
An open-source library for reduced-density matrix-based analysis and computation
☆20Updated 2 years ago
Alternatives and similar repositories for OpenRDM
Users that are interested in OpenRDM are comparing it to the libraries listed below
Sorting:
- Cornell-Holland Ab-initio Materials Package☆16Updated 9 months ago
- Library for local orbital scaling correction (LOSC).☆16Updated 11 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆19Updated last week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆11Updated 6 months ago
- Natural-orbital Functional based on PySCF☆10Updated 9 months ago
- ☆14Updated 4 months ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Pythonic electronic structure theory.☆17Updated this week
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- ☆11Updated this week
- Hartree-Fock Python☆18Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 11 months ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 2 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 4 years ago
- Dyson equation solvers for electron propagator methods☆10Updated last month
- MOHA: MOlecular HAmiltonian☆15Updated last year
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 3 months ago
- reinforcement learning configuration interaction☆9Updated 3 years ago
- An example to implement PBC SCF☆14Updated 6 years ago
- ☆10Updated 3 months ago
- ☆11Updated 9 months ago
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- OpenRSP: open-ended response theory.☆16Updated 4 years ago
- GMTKN test sets in python☆11Updated 3 years ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year