filippi-claudia / champLinks
The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.
☆20Updated 3 weeks ago
Alternatives and similar repositories for champ
Users that are interested in champ are comparing it to the libraries listed below
Sorting:
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- Set of tools for trexio files☆19Updated last week
- QuAcK: a software for emerging quantum electronic structure methods☆28Updated this week
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆11Updated 8 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 11 months ago
- Pythonic electronic structure theory.☆18Updated 2 months ago
- ☆13Updated last month
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- QMC=Chem version 2☆19Updated 3 weeks ago
- Hartree-Fock Python☆18Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 3 weeks ago
- Natural-orbital Functional based on PySCF☆10Updated 11 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated 2 weeks ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- Generate isosurface from density data☆13Updated 2 months ago
- MOHA: MOlecular HAmiltonian☆15Updated last year
- GMTKN test sets in python☆11Updated 3 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆35Updated 3 months ago
- Dyson equation solvers for Green's function methods☆10Updated this week
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated 2 weeks ago
- SPMS table of pseudopotentials☆19Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 3 months ago
- Open Orbital Optimizer☆24Updated last month
- Repository for PseudopotentialLibrary.org website and database☆15Updated last year
- optking: A molecular geometry optimization program☆23Updated this week