Simpatico  v1.10
Classes
Configuration File IO

Detailed Description

A ConfigIo object can read and write the configuration file for a System.

A configuration file contains the dimensions of the system Boundary, the number of molecules of each Species in the System, and the Vector coordinates of all atoms of all molecules in the System. The default implementation of ConfigIo defines a default configuration file format. Subclasses of ConfigIo may define alternative formats.

Classes

class  McMd::ConfigIo
 System configuration file reader and writer. More...
 
class  McMd::DdMdConfigIo
 ConfigIo for DdMd data files. More...
 
class  McMd::LammpsConfigIo
 ConfigIo for Lammps data files. More...
 
class  McMd::McConfigIo
 ConfigIo for MC simulations (no atom velocities). More...
 
class  McMd::McMdConfigIo
 Base class for default Mc and Md configIos. More...
 
class  McMd::MdConfigIo
 ConfigIo for MD simulations (includes velocities). More...
 
class  McMd::SmpConfigIo
 Common configuration file format for simpatico. More...