Next: Second-Order Approximate Coupled-Cluster (CC2)
Up: Laplace-transformed SOS-RI-MP2 with (4)
Previous: Laplace-transformed SOS-RI-MP2 with (4)
- The Laplace-transformed SOS-MP2 implementation is presently only parallelized
with MPI. The OpenMP parallelization is not (yet) recognized by the LT-SOS-RI-MP2
related program parts.
- It is presently not compatible with the calculation of the D1 and D2
diagnostics. The respective options will be ignored by program if the
Laplace-transformed implementation is used.