Allow Seward to print properties of all orbitals (including virtual orbitals)
Originally only occupied orbitals are printed, which limits the analysis of virtual orbitals. A new keyword "ORBAll" is added in Seward so that when this keyword is used, the multipole moments and cartesian moments of all orbitals are printed, and they are not weighted by occupation numbers.
-
Documentation updated or not needed. -
Test created or not needed. -
Attribution in source files and CONTRIBUTORS.md
updated if necessary.
Edited by Sijia Dong