Benchmarks
This directory contains different benchmarks. For best performance, use the release-lto profile.
For example, to run the benchmarks in dual_numbers, which uses PC-SAFT, use
cargo bench --profile=release-lto --bench=dual_numbers The static-vs-dynamic vector dual benchmark uses mimalloc. Run it with LTO via
cargo bench --profile=release-lto --bench=dual_static_vs_dynamic --features=pcsaft NameDescriptiondual_numbersHelmholtz energy function evaluated using StateHD with different dual number types using the PC-SAFT equation of state.dual_static_vs_dynamicPC-SAFT-like pure-component Helmholtz energy expression evaluated with static (DualSVec64<P>) and dynamic (DualDVec64) vector dual numbers.dual_numbers_saftvrmieHelmholtz energy function evaluated using StateHD with different dual number types using the SAFT-VR-Mie equation of state.state_propertiesProperties of State. Including state creation using the natural variables of the Helmholtz energy (no density iteration).state_creationDifferent constructors of State and PhaseEquilibrium including critical point calculations. For pure substances and mixtures.contributionsHelmholtz energy evaluated for various binary mixtures with different Helmholtz energy contributions.dft_poreCalculation of density profiles in pores using different functionals and bulk conditions. For pure substances, mixtures and heterosegmented chains.