molecular point group symmetry lib
☆91Aug 20, 2024Updated 2 years ago
Alternatives and similar repositories for libmsym
Users that are interested in libmsym are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 8 years ago
- Molcas wavefunction assistent☆13Jul 2, 2021Updated 5 years ago
- Julia package to do symbolic spin adapted second quantization.☆14Aug 26, 2025Updated last year
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 22, 2026Updated 3 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- general GTO integrals for quantum chemistry☆252Jun 21, 2026Updated 3 months ago
- JIT-compiled GPU kernels for quantum chemistry☆36Jan 30, 2026Updated 8 months ago
- ☆19Aug 9, 2026Updated 2 months ago
- ERKALE -- HF/DFT from Hel☆56Updated this week
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Sep 30, 2026Updated last week
- ☆30Nov 5, 2025Updated 11 months ago
- Molecular and crystal electromagnetic properties☆29May 5, 2025Updated last year
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago
- ☆11Mar 13, 2021Updated 5 years ago
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated last month
- ☆10Sep 27, 2024Updated 2 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- MRH's research code☆34Updated this week
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Wave-function analysis tool library☆28Mar 29, 2026Updated 6 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 6 years ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Reusable DFT Grids for the Masses