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CHANGELOG.md

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Changelog

Release 3.1.3

  • Added support for DMRG[IP], the inverse power iteration method applied to MPS wave functions.
  • Added support for DMRG[FEAST] for large-scale excited-state DMRG calculations.

Release 3.1.2

  • Added support for vibrational Hamiltonian within the canonical quantization framework.
  • Added support for excitonic and vibronic Hamiltonians.

Release 3.1.1

  • Fixed bug raising the "pre-existing term" message when constructing the MPO
  • Enhancement of the overlap calculation in MPS-SI

Release 3.1.0

  • Added support for TD-DMRG with time-independent Hamiltonian

Release 3.0.6

  • Bugfix for compilation with BUILD_PREBO=OFF

Release 3.0.5

  • Added support for PreBO DMRG calculations

Release 3.0.4

  • Fixed overlap calculations in MPSSI
  • Fixed number of sweeps for DMRGSCF excited states
  • Got rid of boost::enable_if and boost::shared_ptr in favour of STL
  • Small updates in the Fortran interface and for Mac OS X

Release 3.0.3

  • Fix for Fiedler ordering and excited states
  • Faster parallel RDM evaluation
  • Fixed some crashes for TDM evaluation
  • Added several tests for RDMs
  • Ability to read necessary parameters from checkpoint files