clag: Compute the CI Lagrangian


Files

file  ci_energy.cc
 Compute the CI Lagrangian.
file  clag.cc
 Main file for CI Lagrangian computation.
file  clag.h
 Header file for CI Lagrangian program.
file  lagcalc.cc
 Routine that does the work for the CI Lagrangian computation.
file  relax_pdms.cc
 Compute orbital relaxation contributions to gradient.
file  zorb.cc
 Compute orbital Z vector.

Detailed Description


Generated on Mon Dec 21 14:14:44 2009 for PSI by  doxygen 1.5.6