Capability details
What this helps you do
Explore quantum-chemistry methods in Julia, including supported Hartree–Fock and correlated electronic-structure calculations.
Catalog editorial description
View description sources
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Research classification
Chemical sciences
View discipline evidence
editor · 2026-09-18 — 面向post-Hartree–Fock量子化学方法研究，归化学科学。
Who it is for
An intended audience has not been supplied. Check the original documentation for suitability and prerequisites.
How to use it
Follow upstream guidance and source conditions.
AIPOCH has not verified execution.
Read usage documentationInputs
- 分子几何、基组及所选计算方法。
Outputs
- 单点能等所选方法结果；未运行示例。
Resource type
Tool
Access conditions
- 固定LICENSE为MIT；GaussianBasis、Molecules及libcint等依赖各有独立边界。
- README明确仅支持restricted references；GPU、分布式计算、未受限方法等列在Desired Features，不当作现成功能。科研原型不代表通用生产精度。
- Community indexing of this software or analysis workflow only. External models, datasets, services and third-party components have separate terms. Installation, scientific accuracy and suitability were not validated.
View usage information sources
Inputs
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Outputs
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Access conditions
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Documentation
editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.
Sources & versions
- Reference role
- implementation
- Last successful public check
- 2026-09-22T08:38:03.412Z
- Latest public check attempt
- 2026-09-22T08:38:03.412Z · ok
- GitHub metrics
- Stars 166 · checked · latest attempt 2026-09-22T08:38:03.412Z (ok)
Forks 28 · checked · latest attempt 2026-09-22T08:38:03.412Z (ok) - Latest default-branch commit
fe672efbe28654a1ab3788626e7be409a612b20c
Observed 2026-09-22T08:38:03.412Z- Source activity check
- fresh · last successful check 2026-09-22T08:38:03.412Z · latest attempt 2026-09-22T08:38:03.412Z (ok)
- Source status
- Active at last observation
- License
- MIT
- Fixed commit
fe672efbe28654a1ab3788626e7be409a612b20c- Reference checked
- 2026-09-18
Default-branch activity is separate from the fixed reference above. Source terms apply. A fixed commit identifies content; it does not establish scientific validity.
Related research
Explore quantum-chemistry methods in Julia, including supported Hartree–Fock and correlated electronic-structure calculations.
Claims & evidence
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Research questions and code contributions belong with the original project. Catalog corrections can be proposed separately.