PSCF v1.2
HamiltonianAnalyzer

This analyzer calculates the average of total hamiltonian and its components. The relevant mathematical formulas can be found in the relevant manual page about the theory.

See also
HamiltonianAnalyzer (class API)

Parameter File

The full parameter file format is shown below:

HamiltonianAnalyzer{
interval int
outputFileName string
nSamplePerBlock int
}

Meanings of the parameters are described briefly below:

Label Description
interval number of steps between data samples
outputFileName name of output file
nSamplePerBlock number of samples per block average

Output

During the simulation, block average of total hamiltonian and its components are output to the file {outputFileName} every interval simulation steps.

At the end of the simulation,

  • average info are output to {outputFileName}.ave
  • error analysis info are output to {outputFileName}.aer