Molcas Forum

haibei

Member

Registered: 2016-01-06

Posts: 3

How to show 2-electron integrals in seward.out ?

Dear users,

I was wondering if there is an elegant way to print out the 2-electron integrals in the output of seward.

My trouble is although I know by setting "MOLCAS_PRINT=Debug" the 2-electron integrals can be listed in the output, they are not labeled by any Indexes so I do not know which is which.

Or perhaps this issue will never be solved unless we modify the original source code?

Thanks for your time!
Haibei HUANG

PhD Student
School of Chemistry
School of Science
The University of Melbourne
VIC 3010, Parkville Campus, Australia