Psi4
Namespaces | Functions
thermo.cc File Reference

Compute thermodynamic quantities. More...

#include "psi4/psi4-dec.h"
#include "psi4/libmints/vector.h"
#include "psi4/libmints/wavefunction.h"
#include "psi4/libmints/molecule.h"
#include "psi4/physconst.h"

Namespaces

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

Functions

void psi::thermo::title (void)
 
PsiReturnType psi::thermo::thermo (SharedWavefunction, SharedVector, Options &)
 

Detailed Description

Compute thermodynamic quantities.