= Qbox Release Notes =
== 1.63.7 ==
* Simplified synchronization in client-server mode. Added scripts for client-server testing.
== 1.63.5 ==
* Bugfix release. Fix calculation of the Hartree-Fock exchange energy when using multiple k-points and nspin=2.
== 1.63.4 ==
* Implementation of the B3LYP functional for spin-polarized systems. New set_velocity command to set the velocity of atoms.
== 1.63.2 ==
* Modified convergence criterion for {{{etotal_int}}}: convergence is reached when three successive values of {{{etotal_int}}} are included in an interval of width {{{scf_tol}}}.
== 1.63.0 ==
* Implementation of the Harris-Foulkes functional for the computation of {{{etotal_int}}} during self-consistent iterations.
== 1.62.7 ==
* Implementation of the {{{partial_charge}}} command, used to compute the charge (or spin) density in a sphere centered on an atom.
== 1.62.6 ==
* Implementation of the {{{iter_cmd}}} and {{{iter_cmd_period}}} variables, used to specify a command executed at each (or every {{{iter_cmd_period}}}) ionic step.
* Fix a bug in JDWavefunctionStepper that caused instabilities in some systems.
== 1.62.5 ==
* Adjust parameters to optimize CG ionic stepper.
* Fix OpenMP error in ElectricEnthalpy.C causing possible race condition in calculations of the polarization when using multiple threads.
== 1.62.4 ==
* Removed quadratic corrections to the exchange energy.
== 1.62.3 ==
* Fix bug in the implementation of f non-local projectors.
== 1.62.2 ==
* changed "polarization" to "dipole" in output to reflect the correct physical definition of the output.
== 1.62.1 ==
* Use 12-digit precision in Species.C output.
== 1.62.0 ==
* Implementation of electric enthalpy.
== 1.61_0 ==
* Implementation of Optimized Norm-Conserving Vanderbilt (ONCV) potentials.