Psi4
Namespaces | Functions
scfgrad/wrapper.cc File Reference
#include "psi4/psi4-dec.h"
#include "psi4/liboptions/liboptions.h"
#include "psi4/libciomr/libciomr.h"
#include "scf_grad.h"

Namespaces

 psi
 Rotate a set of vectors around an arbitrary axis Vectors are rows of input matrix.
 
 psi::scfgrad
 

Functions

SharedMatrix psi::scfgrad::scfgrad (SharedWavefunction, Options &)
 
SharedMatrix psi::scfgrad::scfhess (SharedWavefunction, Options &)