- Optimized memory usage and efficiency
- Supported (OpenMP) threads and shard memory
1.1 alpha - 2016-02-12
- New NEVPT2 implementation based on MPS perturber
- 1, 2, 3, 4-particle density matrices
- 1, 2-particle transition density matrices
1.0.1 - 2015-07-19
- fixed mpi runtime error; processors now write intermediates files into different directories under scratch;
- now printing summed cpu timings from all processors;
- fixed error of orbital reordering in restart_npdm;
- removed bugs in PT calculations;
- test reference data now cleaned and consistent.
1.0.0 - 2015-03-27
- warm-up step faster
- npdm up to fourth-order as well as transition pdm up to second-order