Detailed Description
ConfigIo for MD simulations (includes velocities).
Definition at line 29 of file MdConfigIo.h.
#include <MdConfigIo.h>
Inheritance diagram for McMd::MdConfigIo:
Public Member Functions | |
| MdConfigIo (System &system) | |
| Constructor. More... | |
| virtual | ~MdConfigIo () |
| Destructor. More... | |
 Public Member Functions inherited from McMd::McMdConfigIo | |
| McMdConfigIo (System &system) | |
| Constructor. More... | |
| virtual | ~McMdConfigIo () |
| Destructor. More... | |
| virtual void | read (std::istream &in) |
| Read configuration (particle positions) from file. More... | |
| virtual void | write (std::ostream &out) |
| Write configuration (particle positions) to file. More... | |
| Public Member Functions inherited from McMd::ConfigIo | |
| ConfigIo (System &system) | |
| Constructor. More... | |
| virtual | ~ConfigIo () |
| Destructor. More... | |
Protected Member Functions | |
| virtual void | readAtom (std::istream &out, Atom &atom) |
| Read data for one atom. More... | |
| virtual void | writeAtom (std::ostream &out, const Atom &atom) |
| Write data for one atom. More... | |
| Protected Member Functions inherited from McMd::ConfigIo | |
| System & | system () const |
| Get a reference to the parent System. More... | |
| Simulation & | simulation () const |
| Get a reference to the parent Simulation. More... | |
| Boundary & | boundary () const |
| Get the Boundary. More... | |
Constructor & Destructor Documentation
| McMd::MdConfigIo::MdConfigIo | ( | System & | system | ) |
Constructor.
Definition at line 21 of file MdConfigIo.cpp.
|
virtual |
Destructor.
Definition at line 28 of file MdConfigIo.cpp.
Member Function Documentation
|
protectedvirtual |
Read data for one atom.
Implements McMd::McMdConfigIo.
Definition at line 34 of file MdConfigIo.cpp.
References McMd::ConfigIo::boundary(), McMd::Atom::position(), Simp::OrthorhombicBoundary::shift(), and McMd::Atom::velocity().
|
protectedvirtual |
Write data for one atom.
Implements McMd::McMdConfigIo.
Definition at line 49 of file MdConfigIo.cpp.
References Util::Dimension, McMd::Atom::position(), and McMd::Atom::velocity().
The documentation for this class was generated from the following files:
