Collective Variables Module - Developer Documentation
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colvarmodule.h File Reference

Collective variables main module. More...

#include <iostream>
#include <iomanip>
#include <string>
#include <cstring>
#include <sstream>
#include <fstream>
#include <cmath>
#include <vector>
#include <list>
#include "colvartypes.h"
#include "colvarproxy.h"
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Classes

class  colvarmodule
 Collective variables module (main class) More...
 
class  colvarmodule::vector1d< T >
 Arbitrary size array (one dimensions) suitable for linear algebra operations (i.e. for floating point numbers it can be used with library functions) More...
 
class  colvarmodule::matrix2d< T >
 Arbitrary size array (two dimensions) suitable for linear algebra operations (i.e. for floating point numbers it can be used with library functions) More...
 

Macros

#define COLVARS_VERSION   "2017-03-13"
 
#define COLVARS_DEBUG   false
 
#define COLVARS_OK   0
 
#define COLVARS_ERROR   1
 
#define COLVARS_NOT_IMPLEMENTED   (1<<1)
 
#define INPUT_ERROR   (1<<2)
 
#define BUG_ERROR   (1<<3)
 
#define FILE_ERROR   (1<<4)
 
#define MEMORY_ERROR   (1<<5)
 
#define FATAL_ERROR   (1<<6)
 
#define DELETE_COLVARS   (1<<7)
 
#define COLVARS_NO_SUCH_FRAME   (1<<8)
 

Typedefs

typedef colvarmodule cvm
 Shorthand for the frequently used type prefix.
 

Functions

std::ostream & operator<< (std::ostream &os, cvm::rvector const &v)
 
std::istream & operator>> (std::istream &is, cvm::rvector &v)
 

Detailed Description

Collective variables main module.

This file declares the main class for defining and manipulating collective variables: there should be only one instance of this class, because several variables are made static (i.e. they are shared between all object instances) to be accessed from other objects.