1. 08 Dec, 2020 1 commit
  2. 16 Oct, 2020 1 commit
  3. 12 Mar, 2020 1 commit
  4. 06 May, 2019 1 commit
  5. 14 Jul, 2018 1 commit
    • David Williams-Young's avatar
      BETA 0.2.0 · ab6e9656
      David Williams-Young authored
          - Full integration of GIAO basis set into SCF and RT modules
          - Added RESPONSE module
            - Supports the PolarizationPropagator (TDDFT/TDHF) and ParticleParticlePropagator (pp-RPA/pp-TDA/hh-TDA)
            - RESIDUE -> eigen decomposition
            - (D)FDR -> (damped) frequency depenent response
            - MOR approximation of properties
            - GMRES direct linear systems
            - GPLHR for partial diagonalization
              - Supports arbitrary energy domain for diagonalization
          - Full integration of MPI functionality throughout (CQ_ENABLE_MPI)
            - Using MXX for C++11 MPI bindings
            - Using CXXBLACS for C++ interface to BLACS type functionality
            - Integration of ScaLAPACK into RESPONSE module
          - Bump Libint -> 2.4.2
          - Bump Libxc  -> 4.0.4
          - Added support for coverage checks (CQ_ENABLE_COVERAGE)
          - Various logic checks / bug fixes
      ab6e9656
  6. 02 Sep, 2017 1 commit
  7. 01 Sep, 2017 2 commits