Psi4
Namespaces | Macros | Typedefs | Functions
siminteri.cc File Reference
#include <algorithm>
#include "psi4/libmints/siminteri.h"
#include "psi4/libmints/gshell.h"
#include "psi4/libmints/basisset.h"
#include "psi4/libmints/cartesianiter.h"
#include "psi4/libmints/integral.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 

Macros

#define SIMINT_SCREEN_TOL   0.0
 
#define SIMINT_SCREEN   0
 

Typedefs

using ShellVec = psi::SimintTwoElectronInt::ShellVec
 
using ShellPairVec = psi::SimintTwoElectronInt::ShellPairVec
 

Functions

static void psi::shell_vector_deleter_ (ShellVec *mpv)
 
static void psi::multishell_vector_deleter_ (ShellPairVec *mpv)
 
static simint_shell psi::psi_shell_to_simint_ (const GaussianShell &s)
 
static std::shared_ptr< ShellVecpsi::create_shell_vec_ (const BasisSet &bs)
 
static std::shared_ptr
< ShellPairVec
psi::create_shell_pair_ (const ShellVec &bs1, const ShellVec &bs2)
 
static ShellPairVec psi::create_multi_shellpair_ (const std::vector< ShellPairBlock > &vsh, const ShellVec &shell1, const ShellVec &shell2)
 
static std::shared_ptr
< ShellPairVec
psi::create_shared_multi_shellpair_ (const std::vector< ShellPairBlock > &vsh, const ShellVec &shell1, const ShellVec &shell2)
 

Macro Definition Documentation

#define SIMINT_SCREEN   0
#define SIMINT_SCREEN_TOL   0.0

Typedef Documentation