Open
Description
Following #65, we should add benchmarks for possible future performance investigations.
Feel free to add to the list of functions to benchmark.
- direct calls to the residual Helmholtz energy function given a
StateHD
(circumventing closure construction and cache) [Add benchmarks and Cargo profile using link-time optimization #89 ].- Helmholtz energy
- first derivative using
Dual64
- second derivative using
HyperDual64
- third derivative using
Dual3
- Properties of
State
(creating aState
inside benchmark or manually clearing cache) [Add benchmarks and Cargo profile using link-time optimization #89] - functions including algorithms / solver
-
PhaseEquilibrium
: constructors - critical point
-
- DFT
- surface tension
- pores
- Python
- identifying overhead
Notes
- Compare impact of compiler options
lto = "thin"
versuslto = true
target-cpu=native
- and more?