Capability details
What this helps you do
Compute Gaussian one- and two-electron integrals through C and Fortran interfaces for quantum-chemistry software.
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 — 电子结构计算中的高斯轨道积分能力，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
- 原子、基函数和环境数组、积分类型及数值阈值。
Outputs
- 积分缓冲区和非零标记等API结果。
Resource type
Tool
Access conditions
- 固定LICENSE为Apache2.0；README另提qcint为GPLv3项目，二者不可混为同一许可。
- 需要编译及BLAS；小积分截断和高角动量数值稳定性存在README列明限制。误差/速度数字只是上游声明，未经本轮复测。
- 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
- 2026-09-22T08:38:07.334Z
- Latest public check attempt
- 2026-09-22T08:38:07.334Z · ok
- GitHub metrics
- Stars 251 · checked · latest attempt 2026-09-22T08:38:07.334Z (ok)
Forks 100 · checked · latest attempt 2026-09-22T08:38:07.334Z (ok) - Latest default-branch commit
3d36c4f4e24ca5aaf91be7299f93dd541db0f50b
Observed 2026-09-22T08:38:07.334Z- Source activity check
- fresh · last successful check 2026-09-22T08:38:07.334Z · latest attempt 2026-09-22T08:38:07.334Z (ok)
- Source status
- Active at last observation
- License
- Apache-2.0
- Fixed commit
3d36c4f4e24ca5aaf91be7299f93dd541db0f50b- 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
Compute Gaussian one- and two-electron integrals through C and Fortran interfaces for quantum-chemistry software.
Claims & evidence
Continue the conversation
Research questions and code contributions belong with the original project. Catalog corrections can be proposed separately.