Classes | Typedefs | Functions
ComputeQM.h File Reference
#include "ComputeHomePatches.h"
#include "NamdTypes.h"

Go to the source code of this file.


struct  patchDataStrc
struct  LSSSubsDat
struct  meMMQMGrp
struct  QMForce
class  ComputeQM


typedef AtomID Origin
typedef AtomID Target
typedef std::pair< Origin, TargetcSMDPair


SortedArray< LSSSubsDat > & lssSubs (ComputeQMMgr *mgr)

Typedef Documentation

typedef std::pair<Origin,Target> cSMDPair

Definition at line 112 of file ComputeQM.h.

typedef AtomID Origin

Definition at line 110 of file ComputeQM.h.

typedef AtomID Target

Definition at line 111 of file ComputeQM.h.

Function Documentation

SortedArray<LSSSubsDat>& lssSubs ( ComputeQMMgr mgr)

Definition at line 595 of file ComputeQM.C.

References ComputeQMMgr::get_subsArray().

Referenced by HomePatch::qmSwapAtoms().

595  {
596  return mgr->get_subsArray();
597 } ;
SortedArray< LSSSubsDat > & get_subsArray()
Definition: ComputeQM.C:428