QMCPACK / pseudopotentiallibraryLinks
Repository for PseudopotentialLibrary.org website and database
☆15Updated last year
Alternatives and similar repositories for pseudopotentiallibrary
Users that are interested in pseudopotentiallibrary are comparing it to the libraries listed below
Sorting:
- A Python package for wave function-based quantum embedding☆34Updated last week
- Set of tools for trexio files☆19Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 2 months ago
- QMC=Chem version 2☆19Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- ☆13Updated 2 weeks ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 11 months ago
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- SOC integrals generator with atomic mean field approximation☆10Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- ☆53Updated 3 weeks ago
- MRH's research code☆25Updated last week
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated 2 years ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- TREX I/O library☆53Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆27Updated this week
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆15Updated 3 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
- Coupled-cluster package written in Python.☆41Updated last month
- Hartree-Fock Python☆18Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated last year
- ☆58Updated last week
- I can't believe it's NonAbelian!☆24Updated this week
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 5 months ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- A library of density matrix embedding theory (DMET).☆36Updated 5 months ago
- ☆11Updated 10 months ago
- Quantum Monte Carlo package, TurboRVB☆29Updated 4 months ago