Steven E. Wheeler

Results 2 issues of Steven E. Wheeler

For ORCA inputs using "Gaussian's B3LYP", automatically include "NoCosx" keyword to more closely match Gaussian results (ORCA uses RIJCOSX by default). Similarly, add option to do "ORCA's 6-31G*" that requests...

enhancement

The recent fix to glob_files made it so none of the CLS could read from STDIN. I made a small change to glob_files that fixes many cases. However, many CLS...