TREX-CoE / trexio_toolsLinks
Set of tools for trexio files
☆19Updated this week
Alternatives and similar repositories for trexio_tools
Users that are interested in trexio_tools are comparing it to the libraries listed below
Sorting:
- QMC=Chem version 2☆19Updated 2 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 2 weeks ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated last year
- Cornell-Holland Ab-initio Materials Package☆16Updated 11 months ago
- ☆13Updated 2 weeks ago
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- A Python package for wave function-based quantum embedding☆34Updated last week
- QuAcK: a software for emerging quantum electronic structure methods☆27Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated last month
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- Dyson equation solvers for Green's function methods☆10Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated last year
- An open source program for the description of metastable electronic states in molecules.☆22Updated 2 months ago
- Pythonic electronic structure theory.☆18Updated last month
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆15Updated 3 months ago
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- GMTKN test sets in python☆11Updated 3 years ago
- MRH's research code☆25Updated last week
- Hartree-Fock Python☆18Updated 2 years ago
- Open Orbital Optimizer☆24Updated last week
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆25Updated 4 months ago
- TREX I/O library☆53Updated this week
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago