Documentation for module qs_energy

Perform a QUICKSTEP wavefunction optimization (single point)

source: qs_energy.F
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public Subroutines/Functions:

Driver routine for QUICKSTEP single point wavefunction optimization.

SUBROUTINEqs_energies(qs_env, consistent_energies, calc_forces)

Driver routine for QUICKSTEP single point wavefunction optimization.

Arguments:
POINTER
:: qs_env ...
LOGICAL,
INTENT(in),
OPTIONAL
:: consistent_energies ...
LOGICAL,
INTENT(in),
OPTIONAL
:: calc_forces ...