An n-dimensional rust tensor library
☆49Nov 14, 2025Updated 3 months ago
Alternatives and similar repositories for rstsr
Users that are interested in rstsr are comparing it to the libraries listed below
Sorting:
- A high performance N-dimensional array library for Rust☆45Jun 24, 2025Updated 8 months ago
- ☆29Jul 15, 2025Updated 7 months ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆14May 26, 2025Updated 9 months ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- eXtended Equivairant Graph Neural Network☆14Jul 23, 2025Updated 7 months ago
- ☆19Jul 25, 2022Updated 3 years ago
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- ☆10Sep 27, 2024Updated last year
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 3 months ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆35Oct 27, 2025Updated 4 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 5 years ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- An implementation of the Meshless Voronoi algorithm (see: https://hal.inria.fr/hal-01927559/file/voroGPU.pdf)☆18Nov 18, 2024Updated last year
- ☆13Jan 11, 2022Updated 4 years ago
- 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
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆68Aug 12, 2025Updated 6 months ago
- ☆13Updated this week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 2 years ago
- ☆45Oct 5, 2024Updated last year
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- PyTorch Autodiff DFT-D3 Implementation.☆24Updated this week
- ☆17May 20, 2025Updated 9 months ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jan 28, 2026Updated last month
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 2 months ago
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- Pseudopotential Studio☆21May 6, 2021Updated 4 years ago
- Clair (Clang Introspection and Reflection) tools. A set of clang tools developed for Flatiron/CCQ☆18Dec 22, 2025Updated 2 months ago
- A light-weight PyTorch extension for equivariant deep learning☆18Feb 20, 2025Updated last year