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
| Name | Description |
|---|---|
dual_numbers |
Helmholtz energy function evaluated using StateHD with different dual number types using the PC-SAFT equation of state. |
dual_numbers_saftvrmie |
Helmholtz energy function evaluated using StateHD with different dual number types using the SAFT-VR-Mie equation of state. |
state_properties |
Properties of State. Including state creation using the natural variables of the Helmholtz energy (no density iteration). |
state_creation |
Different constructors of State and PhaseEquilibrium including critical point calculations. For pure substances and mixtures. |
contributions |
Helmholtz energy evaluated for various binary mixtures with different Helmholtz energy contributions. |
dft_pore |
Calculation of density profiles in pores using different functionals and bulk conditions. For pure substances, mixtures and heterosegmented chains. |