DefineHolesAndParticles

Table of Contents

1. Brief description

The algorithm takes a sorted vector of eigenenergies and splits it into a set of two tensors, according to the provided fermiEnergy.

2. Algorithm call

A typical input file snippet to call the DefineHolesAndParticles algorithm is given below.

- name: DefineHolesAndParticles
  in:
    eigenEnergies: EigenEnergies
  out:
    slicedEigenEnergies: EigenEnergies

3. Algorithm input

Keyword Value
eigenEnergies EigenEnergies

4. Algorithm output

Keyword Value
slicedEigenEnergies SlicedEigenEnergies

4.1. Sample stdout

The output of the algorithm provides the number of occupied and virtual states in the calculation.

step: 3, DefineHolesAndParticles
number of holes     No: 4
number of particles Nv: 36
number of states    Np: 40
realtime 0.000832881 s

5. Sample yaml output

floatingPointOperations: 0
flops: 0
in:
  eigenEnergies: 0x246b298
name: DefineHolesAndParticles
out:
  slicedEigenEnergies: 0x1668178
realtime: 0.001512765

6. Literature

Created: 2022-09-19 Mon 15:00