Closed bskinn closed 6 years ago
Things like SCF convergence data, CASSCF state populations, and geometry optimization stats can occur multiple times in a data file. Need to enable capture of all occurrences, not just the first.
Things like SCF convergence data, CASSCF state populations, and geometry optimization stats can occur multiple times in a data file. Need to enable capture of all occurrences, not just the first.