OpenAtom  Version1.5a
InstanceController.h
1 #ifndef _INSTANCECONTROLLER_H_
2 #define _INSTANCECONTROLLER_H_
3 //#include "InstanceController.decl.h"
5  public:
6  int junk;
7 };
8 
9 /****************************************************************************
10 * Handles launch synchronization for each instance.
11 *
12 * Catch all for per instance synchronization of any kind.
13 *
14 ****************************************************************************/
16  public:
17  double Timer;
20  InstanceController(CkMigrateMessage *m){}
21  void init();
22  void doneInit(CkReductionMsg *msg);
23  void initCookie(ICCookieMsg *msg);
24  void printEnergyHart(CkReductionMsg *msg);
25  void printEnergyEexc(CkReductionMsg *msg);
26  void printFictEke(CkReductionMsg *msg);
27  void allDoneCPForces(CkReductionMsg *m);
28  void allDoneCPForcesAllKPoint(CkReductionMsg *m);
29  void printEnergyEke(CkReductionMsg *m);
30  void cleanExit(CkReductionMsg *m);
31  void cleanExitAll(CkReductionMsg *m);
32  void acceptNewTemperature(double temp);
33  void useNewTemperature(double temp);
34  void atomsDoneNewTemp(CkReductionMsg *m);
35  void gspDoneNewTemp(CkReductionMsg *m);
36  void fmagMinTest(CkReductionMsg *m);
37  CProxySection_CP_State_GSpacePlane gTemperBeadProxy;
38  private:
39 
40  int done_init;
41  int numKpointforces;
42  bool atomsTempDone;
43  bool gspTempDone;
44  CkSectionInfo allKPcookie;
45 };
46 
47 #endif
void allDoneCPForces(CkReductionMsg *m)
When ALL the cp forces are done, you can integrate the atoms.
void printEnergyEke(CkReductionMsg *m)
Print out Quantum KE and put all the energies into the message group ////////////////////////////////...
void cleanExit(CkReductionMsg *m)
When the simulation is done on each instance, make a clean exit this gets called by each instance...
void cleanExitAll(CkReductionMsg *m)
When the simulation is done, make a clean exit this gets called on the 0th element when everyone call...
void printFictEke(CkReductionMsg *msg)
Print out Fict CP KE and send it to the energy group ////////////////////////////////////////////////...