Version 3.3.1

Incorporates substantial new performance optimisations from @drjuls: constructing the CI matrix is much faster for big, open-shell systems when running with lots of CPU cores. Also adds the ability to use MKL's ScaLAPACK interface, and some bug fixes and additional unit tests (via @emilyviolet).

v3.2.0

New build system using cmake.
The directory structure has also been overhauled, following usual cmake conventions.

Huge thanks to @emilyviolet - as always she's just the best - as well as @jajo-11 and Steve Worm (DESY).

v3.1.1

Overhauled normal mass shift for this release.
Includes bugfixes and new features.

v3.1.0

Upgrades:

• Speed optimisations across the board by changing container classes.
• Added --xr-basis option to create orbitals by multiplication with simple functions.
• Better OpenMP utilisation for MBPT diagrams and Slater integrals.
• Upgraded SCons build utility to use either Python 2 or 3

v3.0.4

Bugfixes.

v3.0.3

New external field operators (kinetic energy, LorentzInvarianceT2, E4, M3, M4 transition operators), bug fixes and documentation updates.

v3.0.2

Bug fixes.

From 3.0.1:
Introduced hybrid OpenMP and MPI parallelism for high powered computing. Includes transition calculations with RPA corrections. User guides are no longer terrible.

v3.0.1

Introduced hybrid OpenMP and MPI parallelism for high powered computing. Includes transition calculations with RPA corrections. User guides are no longer terrible.