PrototypeCommon
manassharma07/PyFock
An efficient and fully parallelized pure python DFT and electronic structure code with GPU acceleration through just-in-time compilation
- Owner
- manassharma07 (personal account)
- Stars
- Stars: 100
- Forks
- Forks: 17
- Language
- Python
- License
- MIT
- Created
- 2025
- Topics
- cuda-supportdensity-functional-theorydft-calculationsquantum-chemistryelectronic-structuregaussian-basis-functionhartree-fockmolecular-integrals
- Tier
- Prototype (100 to 249 ★) What this tier means
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