| Tests__Chem Method |
Runs a simple quantum chemistry simulation.
This is the same as the
__ChemFull sample,
with common values for the detailed parameters: test 0, 32 Trotter steps, first-order Trotter,
28 bits of accuracy, and no additional options.
See the Users Manual for more information.
Namespace: Microsoft.Research.Liquid
Assembly: Liquid1 (in Liquid1.dll) Version: 1.0.5981.24943 (1.0.*)
SyntaxF#
static member __Chem : mol : string -> unit
Parameters
- mol
- Type: SystemString
The name of the molecule to simulate. Entering an empty string, "", will display the list of available molecules.
See Also