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PatchTypes.h

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00001 
00007 #ifndef PATCHTYPES_H
00008 #define PATCHTYPES_H
00009 
00010 #include "NamdTypes.h"
00011 #include "Lattice.h"
00012 
00013 class Flags
00014 {
00015 public:
00016   int step;                     // timestep number reported to user
00017                                 // Same number may appear multiple times!
00018   int sequence;                 // sequence number of compute call
00019                                 // changes by 1 every time!
00020   int doEnergy;
00021   int doNonbonded;
00022   int doFullElectrostatics;
00023   int doMolly;
00024   // BEGIN LA
00025   int doLoweAndersen;
00026   // END LA
00027   int doGBIS;// gbis
00028   int doLCPO;//LCPO
00029   int submitLoadStats;
00030   int maxForceUsed;             // may ignore slower force classes
00031   int maxForceMerged;           // add this and faster to normal
00032 
00033   int usePairlists;
00034   int savePairlists;
00035   BigReal pairlistTolerance;
00036   BigReal maxAtomMovement;
00037   BigReal maxGroupRadius;
00038 
00039   Lattice lattice;              // rather than shipping around separately
00040 
00041   inline Flags& operator= (const Flags &flags) 
00042     {
00043       CmiMemcpy (this, &flags, sizeof(Flags));
00044       return *this;
00045     }
00046 
00047 };
00048 
00049 class Results
00050 {
00051 public:
00052   enum { normal=0, nbond=1, slow=2, amdf=3, maxNumForces=4 };
00053 //  enum { normal=0, nbond=1, slow=2, maxNumForces=3 };
00054   Force *f[maxNumForces];
00055 };
00056 
00057 #endif
00058 

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