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

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 594 of file ComputeQM.C.

References ComputeQMMgr::get_subsArray().

Referenced by HomePatch::qmSwapAtoms().

00594                                                     { 
00595     return mgr->get_subsArray(); 
00596 } ;


Generated on Tue Nov 21 01:17:16 2017 for NAMD by  doxygen 1.4.7