Psi4
Namespaces | Functions
sapt/wrapper.cc File Reference
#include "wrapper.h"
#include "psi4/libmints/molecule.h"
#include "psi4/libsapt_solver/sapt0.h"
#include "psi4/libsapt_solver/usapt0.h"
#include "psi4/libsapt_solver/sapt2.h"
#include "psi4/libsapt_solver/sapt2p.h"
#include "psi4/libsapt_solver/sapt2p3.h"

Namespaces

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

Functions

std::string psi::sapt::to_string (const int val)
 
PsiReturnType psi::sapt::sapt (SharedWavefunction, SharedWavefunction, SharedWavefunction, Options &)