Simpatico
v1.10
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ConfigIo for MC simulations (no atom velocities).
Definition at line 29 of file McConfigIo.h.
#include <McConfigIo.h>
Public Member Functions | |
McConfigIo (System &system) | |
Constructor. More... | |
virtual | ~McConfigIo () |
Destructor. More... | |
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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... | |
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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... | |
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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... | |
McMd::McConfigIo::McConfigIo | ( | System & | system | ) |
Constructor.
Definition at line 19 of file McConfigIo.cpp.
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virtual |
Destructor.
Definition at line 26 of file McConfigIo.cpp.
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protectedvirtual |
Read data for one atom.
Implements McMd::McMdConfigIo.
Definition at line 32 of file McConfigIo.cpp.
References McMd::ConfigIo::boundary(), McMd::Atom::position(), and Simp::OrthorhombicBoundary::shift().
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protectedvirtual |
Write data for one atom.
Implements McMd::McMdConfigIo.
Definition at line 41 of file McConfigIo.cpp.
References McMd::Atom::position().