QMCPACK / pseudopotentiallibraryLinks
Repository for PseudopotentialLibrary.org website and database
☆15Updated 4 months ago
Alternatives and similar repositories for pseudopotentiallibrary
Users that are interested in pseudopotentiallibrary are comparing it to the libraries listed below
Sorting:
- Set of tools for trexio files☆19Updated 3 months ago
- A Python package for wave function-based quantum embedding☆39Updated 3 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 3 months ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- An open source program for the description of metastable electronic states in molecules.☆24Updated 9 months ago
- Correlation consistent Gaussian basis sets for solids☆25Updated 8 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆20Updated last week
- ☆13Updated 3 weeks ago
- Donostia Natural Orbital Functional Software☆22Updated 3 weeks 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
- Open Orbital Optimizer☆33Updated 2 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- systematic molecular fragmentation by annihilation☆11Updated 6 years ago
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- QMC=Chem version 2☆20Updated last month
- MRH's research code☆26Updated this week
- SOC integrals generator with atomic mean field approximation☆10Updated 7 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 3 years ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆22Updated 6 months ago
- Automatic equation of motion coupled cluster generator☆17Updated 2 years ago
- ☆66Updated 7 months ago
- Library for local orbital scaling correction (LOSC).☆17Updated last year
- Reusable DFT Grids for the Masses☆19Updated this week
- A library of density matrix embedding theory (DMET).☆38Updated last year
- Coupled-cluster package written in Python.☆47Updated 2 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 2 years ago
- Hartree-Fock Python☆20Updated 3 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- ☆12Updated 11 months ago
- TREX I/O library☆64Updated last week