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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 #if 0
00016 class ComputeGlobalConfigMsg : public CMessage_ComputeGlobalConfigMsg {
00017 public:
00018   // data members
00019   AtomIDList aid;
00020   AtomIDList gdef;  // group definitions
00021 
00022   // constructor and destructor
00023   ComputeGlobalConfigMsg(void);
00024   ~ComputeGlobalConfigMsg(void);
00025 
00026   // pack and unpack functions
00027   static void* pack(ComputeGlobalConfigMsg *msg);
00028   static ComputeGlobalConfigMsg* unpack(void *ptr);
00029 };
00030 #endif
00031 
00032 
00033 class ComputeGlobalDataMsg : public CMessage_ComputeGlobalDataMsg {
00034 public:
00035   // data members
00036   int step;
00037   AtomIDList aid;
00038   PositionList p;
00039   PositionList gcom;  // group center of mass
00040   AtomIDList fid;
00041   ForceList tf;
00042 
00043   // constructor and destructor
00044   ComputeGlobalDataMsg(void);
00045   ~ComputeGlobalDataMsg(void);
00046 
00047   // pack and unpack functions
00048   static void* pack(ComputeGlobalDataMsg *msg);
00049   static ComputeGlobalDataMsg* unpack(void *ptr);
00050 };
00051 
00052 
00053 class ComputeGlobalResultsMsg : public CMessage_ComputeGlobalResultsMsg {
00054 public:
00055   // data members
00056   AtomIDList aid;
00057   ForceList f;
00058   ForceList gforce;  // force on group
00059 
00060   int reconfig;
00061 
00062   /* If <resendCoordinates> is 1, this message indicates a request for
00063      another set of coordinates (a ComputeGlobalDataMessage) during
00064      this timestep.  It may be 1 even if reconfig was not set,
00065      though there is no particular reason to do that.  A 1 here also
00066      indicates that the ComputeGlobal should ignore any forces
00067      included in this message, and wait instead for the next Results
00068      Message to come in. */
00069   int resendCoordinates;
00070   
00071   AtomIDList newaid;
00072   AtomIDList newgdef;
00073 
00074   // constructor and destructor
00075   ComputeGlobalResultsMsg(void);
00076   ~ComputeGlobalResultsMsg(void);
00077 
00078   // pack and unpack functions
00079   static void* pack(ComputeGlobalResultsMsg *msg);
00080   static ComputeGlobalResultsMsg* unpack(void *ptr);
00081 
00082 };
00083 
00084 
00085 #endif
00086 

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