Psi4
Namespaces | Macros | Typedefs | Functions
optking.cc File Reference
#include <cstdio>
#include <fstream>
#include <iostream>
#include "globals.h"
#include "molecule.h"
#include "print.h"
#include "io.h"
#include "psi4/libpsi4util/exception.h"
#include "psi4/libparallel/parallel.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 
 opt
 

Macros

#define OptReturnSuccess   (psi::Success)
 
#define OptReturnFailure   (psi::Failure)
 
#define OptReturnEndloop   (psi::EndLoop)
 

Typedefs

typedef psi::PsiReturnType OptReturnType
 

Functions

void psi::psiclean (void)
 
void opt::open_output_dat (void)
 
void opt::close_output_dat (void)
 
void opt::print_title_out (void)
 
void opt::print_end_out (void)
 
void opt::init_ioff (void)
 
void opt::set_params (psi::Options &options)
 
psi::PsiReturnType opt::optking (psi::Options &)
 

Detailed Description

: main optimizer

Macro Definition Documentation

#define OptReturnEndloop   (psi::EndLoop)
#define OptReturnFailure   (psi::Failure)
#define OptReturnSuccess   (psi::Success)

Typedef Documentation