Same changes I made in 5.1.1: 1. Fixed silly (redundant) logic for intorb. 2. Forced 2emet=1 when user sets 2eorb=false and 2emet > 3 since otherwise this will result in failure.
Same changes I made in 5.1.1:
1. Fixed silly (redundant) logic for intorb.
2. Forced 2emet=1 when user sets 2eorb=false and 2emet > 3 since otherwise this will result in failure.



rangsimanketkaew/NWChem