PSI4 Project Logo

MRCC_RESTARTΒΆ

The program restarts from the previously calculated parameters if it is 1. In case it is 2, the program executes automatically the lower-level calculations of the same type consecutively (e.g., CCSD, CCSDT, and CCSDTQ if CCSDTQ is requested) and restarts each calculation from the previous one (rest=2 is available only for energy calculations). Currently, only a value of 0 and 2 are supported. This becomes rest (option #4) in fort.56.

  • Type: integer
  • Default: 0

Previous topic

MRCC_OMP_NUM_THREADS

Next topic

OMP2

This Page