NAMD: Broadcasts.h Source File

00001 
00007 #ifndef BROADCASTS_H
00008 #define BROADCASTS_H
00009 
00010 #include "NamdTypes.h"
00011 #include "Lattice.h"
00012 #include "BroadcastObject.h"
00013 
00014 enum {
00015   SCRIPT_END,
00016   SCRIPT_RUN,
00017   SCRIPT_OUTPUT,
00018   SCRIPT_FORCEOUTPUT,
00019   SCRIPT_MEASURE,
00020   SCRIPT_REINITVELS,
00021   SCRIPT_RESCALEVELS,
00022   SCRIPT_RELOADCHARGES,
00023   SCRIPT_CHECKPOINT,
00024   SCRIPT_REVERT,
00025   SCRIPT_MINIMIZE,
00026   SCRIPT_DUMMY
00027 };
00028 
00029 // Tags used in common by all users of broadcast system.
00030 enum {
00031   velocityRescaleFactorTag,
00032   positionRescaleFactorTag,
00033   tcoupleCoefficientTag,
00034   minimizeCoefficientTag,
00035   momentumCorrectionTag,
00036 #if USE_BARRIER
00037   cycleBarrierTag,
00038 #endif
00039   scriptBarrierTag,
00040   traceBarrierTag,
00041   accelMDRescaleFactorTag,
00042   adaptTemperatureTag, //Tag for adaptive tempering temperature updates to Sequencer
00043 #ifdef MEASURE_NAMD_WITH_PAPI
00044   papiMeasureTag,
00045 #endif
00046   dummyTag
00047 };
00048 
00049 // Broadcasts used by Contoller <-> Sequencer communication.
00050 struct ControllerBroadcasts
00051 {
00052   SimpleBroadcastObject<BigReal> velocityRescaleFactor;
00053   SimpleBroadcastObject<Tensor> positionRescaleFactor;
00054   SimpleBroadcastObject<BigReal> tcoupleCoefficient;
00055   SimpleBroadcastObject<BigReal> minimizeCoefficient;
00056   SimpleBroadcastObject<Vector> momentumCorrection;
00057 #if USE_BARRIER
00058   SimpleBroadcastObject<int> cycleBarrier;
00059 #endif
00060   SimpleBroadcastObject<int> scriptBarrier;
00061   SimpleBroadcastObject<int> traceBarrier;
00062   SimpleBroadcastObject<Vector> accelMDRescaleFactor;
00063   SimpleBroadcastObject<BigReal> adaptTemperature; 
00064 #ifdef MEASURE_NAMD_WITH_PAPI
00065   SimpleBroadcastObject<int> papiMeasureBarrier;
00066 #endif
00067 
00068   ControllerBroadcasts() : 
00069     velocityRescaleFactor(velocityRescaleFactorTag),
00070     positionRescaleFactor(positionRescaleFactorTag),
00071     tcoupleCoefficient(tcoupleCoefficientTag),
00072     minimizeCoefficient(minimizeCoefficientTag),
00073     momentumCorrection(momentumCorrectionTag),
00074 #if USE_BARRIER
00075     cycleBarrier(cycleBarrierTag),
00076 #endif
00077     accelMDRescaleFactor(accelMDRescaleFactorTag),
00078     adaptTemperature(adaptTemperatureTag), 
00079     scriptBarrier(scriptBarrierTag),
00080 #ifdef MEASURE_NAMD_WITH_PAPI
00081         papiMeasureBarrier(papiMeasureTag),
00082 #endif
00083         traceBarrier(traceBarrierTag)
00084   { ; }
00085 };
00086 
00087 #endif // BROADCASTS_H
00088