🛠️ Improvements

• Refine Crates.io Categories for Computational Chemistry Taxonomy - by @TKanX in #22

Full Changelog: v0.5.0...v0.5.1

🚀 Features

• Implement External Electrostatic Field Support - by @TKanX in #20

Full Changelog: v0.4.0...v0.5.0

🚀 Features

• Implement Exact STO Integrals and Accuracy Benchmarks - by @TKanX in #18

Full Changelog: v0.3.0...v0.4.0

🚀 Features

• Add Configurable Lossy Optimizations for Performance Tuning - by @TKanX in #16

🛠 Improvements

• Parallelize Matrix Construction and Optimize SCF Loop - by @TKanX in #14

Full Changelog: v0.2.0...v0.3.0

🚀 Features

• Implement Command-Line Interface and Release Workflow - by @TKanX in #12

Full Changelog: v0.1.0...v0.2.0

🚀 Features

• Establish Core API, Data Structures, and CI - by @TKanX in #2
• Provide Default Parameter Set and Global Accessor - by @TKanX in #4
• Implement Shielded Coulomb Integral Calculation - by @TKanX in #6
• Implement the Self-Consistent QEq Solver Engine - by @TKanX in #8
• Finalize API, Add Comprehensive Documentation, and Publish Metadata - by @TKanX in #10

New Contributors

• @TKanX made their first contribution in #2

Full Changelog: https://github.com/caltechmsc/cheq/commits/v0.1.0