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ComputeGlobalMsgs.h

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00001 
00007 #ifndef COMPUTEGLOBALMSGS_H
00008 #define COMPUTEGLOBALMSGS_H
00009 
00010 #include "charm++.h"
00011 
00012 #include "NamdTypes.h"
00013 #include "ComputeMgr.decl.h"
00014 
00015 class ComputeGlobalConfigMsg : public CMessage_ComputeGlobalConfigMsg {
00016 public:
00017   // data members
00018   AtomIDList aid;
00019   AtomIDList gdef;  // group definitions
00020 
00021   // constructor and destructor
00022   ComputeGlobalConfigMsg(void);
00023   ~ComputeGlobalConfigMsg(void);
00024 
00025   // pack and unpack functions
00026   static void* pack(ComputeGlobalConfigMsg *msg);
00027   static ComputeGlobalConfigMsg* unpack(void *ptr);
00028 };
00029 
00030 
00031 class ComputeGlobalDataMsg : public CMessage_ComputeGlobalDataMsg {
00032 public:
00033   // data members
00034   int step;
00035   AtomIDList aid;
00036   PositionList p;
00037   PositionList gcom;  // group center of mass
00038   AtomIDList fid;
00039   ForceList tf;
00040 
00041   // constructor and destructor
00042   ComputeGlobalDataMsg(void);
00043   ~ComputeGlobalDataMsg(void);
00044 
00045   // pack and unpack functions
00046   static void* pack(ComputeGlobalDataMsg *msg);
00047   static ComputeGlobalDataMsg* unpack(void *ptr);
00048 };
00049 
00050 
00051 class ComputeGlobalResultsMsg : public CMessage_ComputeGlobalResultsMsg {
00052 public:
00053   // data members
00054   AtomIDList aid;
00055   ForceList f;
00056   ForceList gforce;  // force on group
00057 
00058   int reconfig;
00059 
00060   /* If <resendCoordinates> is 1, this message indicates a request for
00061      another set of coordinates (a ComputeGlobalDataMessage) during
00062      this timestep.  It may be 1 even if reconfig was not set,
00063      though there is no particular reason to do that.  A 1 here also
00064      indicates that the ComputeGlobal should ignore any forces
00065      included in this message, and wait instead for the next Results
00066      Message to come in. */
00067   int resendCoordinates;
00068   
00069   AtomIDList newaid;
00070   AtomIDList newgdef;
00071 
00072   // constructor and destructor
00073   ComputeGlobalResultsMsg(void);
00074   ~ComputeGlobalResultsMsg(void);
00075 
00076   // pack and unpack functions
00077   static void* pack(ComputeGlobalResultsMsg *msg);
00078   static ComputeGlobalResultsMsg* unpack(void *ptr);
00079 
00080 };
00081 
00082 
00083 #endif
00084 

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