ComputeQM.h File Reference

#include "ComputeHomePatches.h"
#include "NamdTypes.h"

Go to the source code of this file.

Classes
struct	patchDataStrc
struct	LSSSubsDat
struct	meMMQMGrp
struct	QMForce
class	ComputeQM

Typedefs
typedef AtomID	Origin
typedef AtomID	Target
typedef std::pair< Origin, Target >	cSMDPair

Functions
SortedArray< LSSSubsDat > &	lssSubs (ComputeQMMgr *mgr)

Typedef Documentation

cSMDPair

typedef std::pair<Origin,Target> cSMDPair

Definition at line 112 of file ComputeQM.h.

Origin

typedef AtomID Origin

Definition at line 110 of file ComputeQM.h.

Target

typedef AtomID Target

Definition at line 111 of file ComputeQM.h.

Function Documentation

lssSubs()

SortedArray<LSSSubsDat>& lssSubs

(

ComputeQMMgr *

mgr

)

Definition at line 596 of file ComputeQM.C.

References ComputeQMMgr::get_subsArray().

Referenced by HomePatch::qmSwapAtoms().

                                                    { 
    return mgr->get_subsArray(); 
} ;