Psi4
Namespaces | Macros | Functions
molecule_read_coords.cc File Reference

read internal coordinates from file More...

#include "molecule.h"
#include <iostream>
#include <sstream>
#include "globals.h"
#include <cmath>

Namespaces

 opt
 

Macros

#define EXTERN
 
#define MAX_REF_ATOM_INTCO   (20)
 

Functions

bool opt::stoi (std::string s, int *a)
 
bool opt::stob (std::string s, bool *a)
 
bool opt::stof (std::string s, double *val)
 
bool opt::has_asterisk (std::string &s)
 
bool opt::myline (std::ifstream &fin, std::vector< std::string > &tokens, int &line_num)
 

Detailed Description

read internal coordinates from file

MOLECULE::read_coords(void) reads internal coordinates from text file return false if coordinates cannot be read - possibly b/c they are not there

Macro Definition Documentation

#define EXTERN
#define MAX_REF_ATOM_INTCO   (20)