#include <GlobalMasterTcl.h>
Inheritance diagram for GlobalMasterTcl:
Public Member Functions | |
| GlobalMasterTcl () | |
| ~GlobalMasterTcl () | |
Protected Member Functions | |
| virtual void | calculate () |
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Definition at line 465 of file GlobalMasterTcl.C. References DebugM, ReductionMgr::Object(), REDUCTIONS_BASIC, GlobalMaster::requestedGroups(), and ReductionMgr::willSubmit(). 00465 {
00466 DebugM(3,"Constructing GlobalMasterTcl\n");
00467 #ifdef NAMD_TCL
00468 interp = 0;
00469 #endif
00470 reduction = ReductionMgr::Object()->willSubmit(REDUCTIONS_BASIC);
00471 initialize();
00472 DebugM(2,"Done constructing ("<<requestedGroups().size()<<" initial groups)\n");
00473 }
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Definition at line 475 of file GlobalMasterTcl.C. References DebugM. 00475 {
00476 DebugM(3,"Destructing GlobalMasterTcl\n");
00477 #ifdef NAMD_TCL
00478 /*
00479 if ( interp ) Tcl_DeleteInterp(interp);
00480 */
00481 #endif
00482 delete reduction;
00483 }
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Reimplemented from GlobalMaster. Definition at line 565 of file GlobalMasterTcl.C. References DebugM, GlobalMaster::modifyAppliedForces(), GlobalMaster::modifyForcedAtoms(), GlobalMaster::modifyGroupForces(), NAMD_die(), ResizeArray< Elem >::resize(), ResizeArray< Elem >::setall(), and SubmitReduction::submit(). 00565 {
00566 DebugM(4,"Calculating forces on master\n");
00567
00568 /* clear out the requested forces first! */
00569 modifyAppliedForces().resize(0);
00570 modifyForcedAtoms().resize(0);
00571 modifyGroupForces().setall(Vector(0,0,0));
00572
00573 #ifdef NAMD_TCL
00574 // Call interpreter to calculate forces
00575
00576 char cmd[129]; int code;
00577 strcpy(cmd,"calcforces"); code = Tcl_Eval(interp,cmd);
00578 const char *result = Tcl_GetStringResult(interp);
00579 if (*result != 0) CkPrintf("TCL: %s\n",result);
00580 if (code != TCL_OK) {
00581 const char *errorInfo = Tcl_GetVar(interp,"errorInfo",0);
00582 NAMD_die(errorInfo);
00583 }
00584 #endif
00585
00586 reduction->submit();
00587
00588 }
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1.3.9.1