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exact-arithmetic
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A lightweight, no-std, pure Rust mathematical kernel for the exact evaluation of two-center Coulomb integrals over ns Slater-type orbitals. Features a zero-allocation, physics-agnostic implementation suitable for both semi-empirical methods (QEq/ReaxFF) and ab initio calculations.
math quantum-mechanics mathematics scientific-computing quantum-chemistry ab-initio numerics no-std electrostatics sto pure-rust qeq reaxff exact-arithmetic electron-repulsion-integrals charge-equilibration coulomb-integral slater-orbitals
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Dec 21, 2025 - Rust
python algorithm mathematics computational-mathematics discrete-mathematics rational-numbers number-theory symbolic-computation greedy-algorithm fractions numerical-computation rational-arithmetic continued-fractions egyptian-fractions math-education unit-fractions diophantine-equations exact-arithmetic fraction-decomposition sylvester-expansion
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Mar 16, 2023 - Python
C# library for lazy arithmetic with potentially infinite continued fractions.
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Apr 5, 2025 - C#
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