1 #ifndef _INSTANCECONTROLLER_H_
2 #define _INSTANCECONTROLLER_H_
22 void doneInit(CkReductionMsg *msg);
24 void printEnergyHart(CkReductionMsg *msg);
25 void printEnergyEexc(CkReductionMsg *msg);
28 void allDoneCPForcesAllKPoint(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;
44 CkSectionInfo allKPcookie;
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 ////////////////////////////////////////////////...