Interface void

This interface does nothing and return zeroes. It is intended for development and testing of cuby, for cases where the actual results does not matter. It can return zero energy, gradient and Hessian.

Methods and capabilities

The interface implements a single unnamed method; 'method' keyword not necessary

Keywords used

Keywords specific for this interface:

• void_delay
• void_energy

Examples

The following examples, along with all other files needed to run them, can be found in the directory cuby4/interfaces/void/examples

#===============================================================================
# Void interface example 1
#===============================================================================

# Let's see all what can the void interface do...

job: hessian
geometry: A24:water # Water molecule from a database
interface: void
print: gradient # Print also the gradient (optional)
hessian_write: "" # Do not save the hessian to file