PRinceton Orbital-Free Electronic Structure Software
☆29Jul 19, 2020Updated 5 years ago
Alternatives and similar repositories for PROFESS
Users that are interested in PROFESS are comparing it to the libraries listed below
Sorting:
- ☆19Jul 25, 2022Updated 3 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- Pseudopotential Studio☆21May 6, 2021Updated 4 years ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 3 months ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- PyTorch-based auto-differentiable orbital-free density functional theory package☆13Mar 19, 2024Updated last year
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 2 years ago
- ☆39Jul 20, 2019Updated 6 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- Donostia Natural Orbital Functional Software☆24Feb 9, 2026Updated 2 weeks ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆46Updated this week
- FortranCL: a Fortran 90 interface for OpenCL☆11Jun 27, 2024Updated last year
- MultiResolution Chemistry☆40Updated this week
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 2 months ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- Amateurish molecular electronic structure program.(for linux)☆23Nov 1, 2016Updated 9 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 3 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Dec 11, 2025Updated 2 months ago
- Ab Initio Energies☆10Nov 22, 2025Updated 3 months ago
- ☆16Jul 20, 2025Updated 7 months ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- ☆10Sep 27, 2024Updated last year
- WEST code☆31Aug 1, 2025Updated 6 months ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Feb 19, 2026Updated last week
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Apr 18, 2023Updated 2 years ago
- MRH's research code☆26Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆35Oct 27, 2025Updated 4 months ago
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- A generic implementation of tensor einsum in Fortran.☆30Jan 29, 2021Updated 5 years ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 2 years ago
- An n-dimensional rust tensor library☆49Nov 14, 2025Updated 3 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Aug 16, 2019Updated 6 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Plane Wave Density Functional Theory Code for the GPU☆12Jan 23, 2015Updated 11 years ago
- ☆29Jul 15, 2025Updated 7 months ago