[ViewVC] Diff of: OpenMD/trunk/src/brains/SimInfo.cpp

Comparing trunk/src/brains/SimInfo.cpp (file contents):
Revision 749 by tim, Wed Nov 16 23:10:02 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

#	Line 59 \| Line 59
59		#include "UseTheForce/DarkSide/fSwitchingFunctionType.h"
60		#include "UseTheForce/doForces_interface.h"
61		#include "UseTheForce/DarkSide/electrostatic_interface.h"
62	–	#include "UseTheForce/notifyCutoffs_interface.h"
62		#include "UseTheForce/DarkSide/switcheroo_interface.h"
63		#include "utils/MemoryUtils.hpp"
64		#include "utils/simError.h"
65		#include "selection/SelectionManager.hpp"
66	+	#include "io/ForceFieldOptions.hpp"
67	+	#include "UseTheForce/ForceField.hpp"
68
69		#ifdef IS_MPI
70		#include "UseTheForce/mpiComponentPlan.h"
#	Line 81 \| Line 82 \| namespace oopse {
82		return result;
83		}
84
85	<	SimInfo::SimInfo(MakeStamps* stamps, std::vector<std::pair<MoleculeStamp*, int> >& molStampPairs,
86	<	ForceField* ff, Globals* simParams) :
87	<	stamps_(stamps), forceField_(ff), simParams_(simParams),
87	<	ndf_(0), ndfRaw_(0), ndfTrans_(0), nZconstraint_(0),
85	>	SimInfo::SimInfo(ForceField* ff, Globals* simParams) :
86	>	forceField_(ff), simParams_(simParams),
87	>	ndf_(0), fdf_local(0), ndfRaw_(0), ndfTrans_(0), nZconstraint_(0),
88		nGlobalMols_(0), nGlobalAtoms_(0), nGlobalCutoffGroups_(0),
89		nGlobalIntegrableObjects_(0), nGlobalRigidBodies_(0),
90		nAtoms_(0), nBonds_(0), nBends_(0), nTorsions_(0), nRigidBodies_(0),
91		nIntegrableObjects_(0), nCutoffGroups_(0), nConstraints_(0),
92		sman_(NULL), fortranInitialized_(false) {
93
94	–
95	–	std::vector<std::pair<MoleculeStamp*, int> >::iterator i;
94		MoleculeStamp* molStamp;
95		int nMolWithSameStamp;
96		int nCutoffAtoms = 0; // number of atoms belong to cutoff groups
#	Line 100 \| Line 98 \| namespace oopse {
98		CutoffGroupStamp* cgStamp;
99		RigidBodyStamp* rbStamp;
100		int nRigidAtoms = 0;
101	<
102	<	for (i = molStampPairs.begin(); i !=molStampPairs.end(); ++i) {
103	<	molStamp = i->first;
104	<	nMolWithSameStamp = i->second;
101	>	std::vector<Component*> components = simParams->getComponents();
102	>
103	>	for (std::vector<Component*>::iterator i = components.begin(); i !=components.end(); ++i) {
104	>	molStamp = (*i)->getMoleculeStamp();
105	>	nMolWithSameStamp = (*i)->getNMol();
106
107		addMoleculeStamp(molStamp, nMolWithSameStamp);
108
109		//calculate atoms in molecules
110		nGlobalAtoms_ += molStamp->getNAtoms() *nMolWithSameStamp;
111
113	–
112		//calculate atoms in cutoff groups
113		int nAtomsInGroups = 0;
114		int nCutoffGroupsInStamp = molStamp->getNCutoffGroups();
115
116		for (int j=0; j < nCutoffGroupsInStamp; j++) {
117	<	cgStamp = molStamp->getCutoffGroup(j);
117	>	cgStamp = molStamp->getCutoffGroupStamp(j);
118		nAtomsInGroups += cgStamp->getNMembers();
119		}
120
#	Line 129 \| Line 127 \| namespace oopse {
127		int nRigidBodiesInStamp = molStamp->getNRigidBodies();
128
129		for (int j=0; j < nRigidBodiesInStamp; j++) {
130	<	rbStamp = molStamp->getRigidBody(j);
130	>	rbStamp = molStamp->getRigidBodyStamp(j);
131		nAtomsInRigidBodies += rbStamp->getNMembers();
132		}
133
#	Line 168 \| Line 166 \| namespace oopse {
166		}
167		molecules_.clear();
168
171	–	delete stamps_;
169		delete sman_;
170		delete simParams_;
171		delete forceField_;
#	Line 275 \| Line 272 \| namespace oopse {
272		}
273		}
274
275	<	}//end for (integrableObject)
276	<	}// end for (mol)
275	>	}
276	>	}
277
278		// n_constraints is local, so subtract them on each processor
279		ndf_local -= nConstraints_;
#	Line 293 \| Line 290 \| namespace oopse {
290
291		}
292
293	+	int SimInfo::getFdf() {
294	+	#ifdef IS_MPI
295	+	MPI_Allreduce(&fdf_local,&fdf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
296	+	#else
297	+	fdf_ = fdf_local;
298	+	#endif
299	+	return fdf_;
300	+	}
301	+
302		void SimInfo::calcNdfRaw() {
303		int ndfRaw_local;
304
#	Line 793 \| Line 799 \| namespace oopse {
799		}
800
801		//calculate mass ratio of cutoff group
802	<	std::vector<double> mfact;
802	>	std::vector<RealType> mfact;
803		SimInfo::MoleculeIterator mi;
804		Molecule* mol;
805		Molecule::CutoffGroupIterator ci;
806		CutoffGroup* cg;
807		Molecule::AtomIterator ai;
808		Atom* atom;
809	<	double totalMass;
809	>	RealType totalMass;
810
811		//to avoid memory reallocation, reserve enough space for mfact
812		mfact.reserve(getNCutoffGroups());
#	Line 923 \| Line 929 \| namespace oopse {
929
930		#endif
931
932	<	double SimInfo::calcMaxCutoffRadius() {
932	>	void SimInfo::setupCutoff() {
933	>
934	>	ForceFieldOptions& forceFieldOptions_ = forceField_->getForceFieldOptions();
935
936	+	// Check the cutoff policy
937	+	int cp = TRADITIONAL_CUTOFF_POLICY; // Set to traditional by default
938
939	<	std::set<AtomType*> atomTypes;
940	<	std::set<AtomType*>::iterator i;
941	<	std::vector<double> cutoffRadius;
942	<
943	<	//get the unique atom types
934	<	atomTypes = getUniqueAtomTypes();
935	<
936	<	//query the max cutoff radius among these atom types
937	<	for (i = atomTypes.begin(); i != atomTypes.end(); ++i) {
938	<	cutoffRadius.push_back(forceField_->getRcutFromAtomType(*i));
939	>	std::string myPolicy;
940	>	if (forceFieldOptions_.haveCutoffPolicy()){
941	>	myPolicy = forceFieldOptions_.getCutoffPolicy();
942	>	}else if (simParams_->haveCutoffPolicy()) {
943	>	myPolicy = simParams_->getCutoffPolicy();
944		}
945
946	<	double maxCutoffRadius = *(std::max_element(cutoffRadius.begin(), cutoffRadius.end()));
942	<	#ifdef IS_MPI
943	<	//pick the max cutoff radius among the processors
944	<	#endif
945	<
946	<	return maxCutoffRadius;
947	<	}
948	<
949	<	void SimInfo::getCutoff(double& rcut, double& rsw) {
950	<
951	<	if (fInfo_.SIM_uses_Charges \| fInfo_.SIM_uses_Dipoles \| fInfo_.SIM_uses_RF) {
952	<
953	<	if (!simParams_->haveCutoffRadius()){
954	<	sprintf(painCave.errMsg,
955	<	"SimCreator Warning: No value was set for the cutoffRadius.\n"
956	<	"\tOOPSE will use a default value of 15.0 angstroms"
957	<	"\tfor the cutoffRadius.\n");
958	<	painCave.isFatal = 0;
959	<	simError();
960	<	rcut = 15.0;
961	<	} else{
962	<	rcut = simParams_->getCutoffRadius();
963	<	}
964	<
965	<	if (!simParams_->haveSwitchingRadius()){
966	<	sprintf(painCave.errMsg,
967	<	"SimCreator Warning: No value was set for switchingRadius.\n"
968	<	"\tOOPSE will use a default value of\n"
969	<	"\t0.85 * cutoffRadius for the switchingRadius\n");
970	<	painCave.isFatal = 0;
971	<	simError();
972	<	rsw = 0.85 * rcut;
973	<	} else{
974	<	rsw = simParams_->getSwitchingRadius();
975	<	}
976	<
977	<	} else {
978	<	// if charge, dipole or reaction field is not used and the cutofff radius is not specified in
979	<	//meta-data file, the maximum cutoff radius calculated from forcefiled will be used
980	<
981	<	if (simParams_->haveCutoffRadius()) {
982	<	rcut = simParams_->getCutoffRadius();
983	<	} else {
984	<	//set cutoff radius to the maximum cutoff radius based on atom types in the whole system
985	<	rcut = calcMaxCutoffRadius();
986	<	}
987	<
988	<	if (simParams_->haveSwitchingRadius()) {
989	<	rsw = simParams_->getSwitchingRadius();
990	<	} else {
991	<	rsw = rcut;
992	<	}
993	<
994	<	}
995	<	}
996	<
997	<	void SimInfo::setupCutoff() {
998	<	getCutoff(rcut_, rsw_);
999	<	double rnblist = rcut_ + 1; // skin of neighbor list
1000	<
1001	<	//Pass these cutoff radius etc. to fortran. This function should be called once and only once
1002	<
1003	<	int cp = TRADITIONAL_CUTOFF_POLICY;
1004	<	if (simParams_->haveCutoffPolicy()) {
1005	<	std::string myPolicy = simParams_->getCutoffPolicy();
946	>	if (!myPolicy.empty()){
947		toUpper(myPolicy);
948		if (myPolicy == "MIX") {
949		cp = MIX_CUTOFF_POLICY;
#	Line 1021 \| Line 962 \| namespace oopse {
962		}
963		}
964		}
965	<	}
965	>	}
966	>	notifyFortranCutoffPolicy(&cp);
967
968	<
968	>	// Check the Skin Thickness for neighborlists
969	>	RealType skin;
970		if (simParams_->haveSkinThickness()) {
971	<	double skinThickness = simParams_->getSkinThickness();
972	<	}
971	>	skin = simParams_->getSkinThickness();
972	>	notifyFortranSkinThickness(&skin);
973	>	}
974	>
975	>	// Check if the cutoff was set explicitly:
976	>	if (simParams_->haveCutoffRadius()) {
977	>	rcut_ = simParams_->getCutoffRadius();
978	>	if (simParams_->haveSwitchingRadius()) {
979	>	rsw_ = simParams_->getSwitchingRadius();
980	>	} else {
981	>	if (fInfo_.SIM_uses_Charges \|
982	>	fInfo_.SIM_uses_Dipoles \|
983	>	fInfo_.SIM_uses_RF) {
984	>
985	>	rsw_ = 0.85 * rcut_;
986	>	sprintf(painCave.errMsg,
987	>	"SimCreator Warning: No value was set for the switchingRadius.\n"
988	>	"\tOOPSE will use a default value of 85 percent of the cutoffRadius.\n"
989	>	"\tswitchingRadius = %f. for this simulation\n", rsw_);
990	>	painCave.isFatal = 0;
991	>	simError();
992	>	} else {
993	>	rsw_ = rcut_;
994	>	sprintf(painCave.errMsg,
995	>	"SimCreator Warning: No value was set for the switchingRadius.\n"
996	>	"\tOOPSE will use the same value as the cutoffRadius.\n"
997	>	"\tswitchingRadius = %f. for this simulation\n", rsw_);
998	>	painCave.isFatal = 0;
999	>	simError();
1000	>	}
1001	>	}
1002	>
1003	>	notifyFortranCutoffs(&rcut_, &rsw_);
1004	>
1005	>	} else {
1006	>
1007	>	// For electrostatic atoms, we'll assume a large safe value:
1008	>	if (fInfo_.SIM_uses_Charges \| fInfo_.SIM_uses_Dipoles \| fInfo_.SIM_uses_RF) {
1009	>	sprintf(painCave.errMsg,
1010	>	"SimCreator Warning: No value was set for the cutoffRadius.\n"
1011	>	"\tOOPSE will use a default value of 15.0 angstroms"
1012	>	"\tfor the cutoffRadius.\n");
1013	>	painCave.isFatal = 0;
1014	>	simError();
1015	>	rcut_ = 15.0;
1016	>
1017	>	if (simParams_->haveElectrostaticSummationMethod()) {
1018	>	std::string myMethod = simParams_->getElectrostaticSummationMethod();
1019	>	toUpper(myMethod);
1020	>	if (myMethod == "SHIFTED_POTENTIAL" \|\| myMethod == "SHIFTED_FORCE") {
1021	>	if (simParams_->haveSwitchingRadius()){
1022	>	sprintf(painCave.errMsg,
1023	>	"SimInfo Warning: A value was set for the switchingRadius\n"
1024	>	"\teven though the electrostaticSummationMethod was\n"
1025	>	"\tset to %s\n", myMethod.c_str());
1026	>	painCave.isFatal = 1;
1027	>	simError();
1028	>	}
1029	>	}
1030	>	}
1031	>
1032	>	if (simParams_->haveSwitchingRadius()){
1033	>	rsw_ = simParams_->getSwitchingRadius();
1034	>	} else {
1035	>	sprintf(painCave.errMsg,
1036	>	"SimCreator Warning: No value was set for switchingRadius.\n"
1037	>	"\tOOPSE will use a default value of\n"
1038	>	"\t0.85 * cutoffRadius for the switchingRadius\n");
1039	>	painCave.isFatal = 0;
1040	>	simError();
1041	>	rsw_ = 0.85 * rcut_;
1042	>	}
1043	>	notifyFortranCutoffs(&rcut_, &rsw_);
1044	>	} else {
1045	>	// We didn't set rcut explicitly, and we don't have electrostatic atoms, so
1046	>	// We'll punt and let fortran figure out the cutoffs later.
1047	>
1048	>	notifyFortranYouAreOnYourOwn();
1049
1050	<	notifyFortranCutoffs(&rcut_, &rsw_, &rnblist, &cp);
1051	<	// also send cutoff notification to electrostatics
1033	<	setElectrostaticCutoffRadius(&rcut_, &rsw_);
1050	>	}
1051	>	}
1052		}
1053
1054		void SimInfo::setupElectrostaticSummationMethod( int isError ) {
#	Line 1038 \| Line 1056 \| namespace oopse {
1056		int errorOut;
1057		int esm = NONE;
1058		int sm = UNDAMPED;
1059	<	double alphaVal;
1060	<	double dielectric;
1059	>	RealType alphaVal;
1060	>	RealType dielectric;
1061
1062		errorOut = isError;
1063		alphaVal = simParams_->getDampingAlpha();
#	Line 1065 \| Line 1083 \| namespace oopse {
1083		} else {
1084		// throw error
1085		sprintf( painCave.errMsg,
1086	<	"SimInfo error: Unknown electrostaticSummationMethod. (Input file specified %s .)\n\telectrostaticSummationMethod must be one of: \"none\", \"shifted_potential\", \"shifted_force\", or \"reaction_field\".", myMethod.c_str() );
1086	>	"SimInfo error: Unknown electrostaticSummationMethod.\n"
1087	>	"\t(Input file specified %s .)\n"
1088	>	"\telectrostaticSummationMethod must be one of: \"none\",\n"
1089	>	"\t\"shifted_potential\", \"shifted_force\", or \n"
1090	>	"\t\"reaction_field\".\n", myMethod.c_str() );
1091		painCave.isFatal = 1;
1092		simError();
1093		}
#	Line 1086 \| Line 1108 \| namespace oopse {
1108		if (!simParams_->haveDampingAlpha()) {
1109		//throw error
1110		sprintf( painCave.errMsg,
1111	<	"SimInfo warning: dampingAlpha was not specified in the input file. A default value of %f (1/ang) will be used.", alphaVal);
1111	>	"SimInfo warning: dampingAlpha was not specified in the input file.\n"
1112	>	"\tA default value of %f (1/ang) will be used.\n", alphaVal);
1113		painCave.isFatal = 0;
1114		simError();
1115		}
1116		} else {
1117		// throw error
1118		sprintf( painCave.errMsg,
1119	<	"SimInfo error: Unknown electrostaticScreeningMethod. (Input file specified %s .)\n\telectrostaticScreeningMethod must be one of: \"undamped\" or \"damped\".", myScreen.c_str() );
1119	>	"SimInfo error: Unknown electrostaticScreeningMethod.\n"
1120	>	"\t(Input file specified %s .)\n"
1121	>	"\telectrostaticScreeningMethod must be one of: \"undamped\"\n"
1122	>	"or \"damped\".\n", myScreen.c_str() );
1123		painCave.isFatal = 1;
1124		simError();
1125		}
#	Line 1102 \| Line 1128 \| namespace oopse {
1128
1129		// let's pass some summation method variables to fortran
1130		setElectrostaticSummationMethod( &esm );
1131	+	setFortranElectrostaticMethod( &esm );
1132		setScreeningMethod( &sm );
1133		setDampingAlpha( &alphaVal );
1134		setReactionFieldDielectric( &dielectric );
1135	<	initFortranFF( &esm, &errorOut );
1135	>	initFortranFF( &errorOut );
1136		}
1137
1138		void SimInfo::setupSwitchingFunction() {
#	Line 1190 \| Line 1217 \| namespace oopse {
1217		Molecule* mol;
1218
1219		Vector3d comVel(0.0);
1220	<	double totalMass = 0.0;
1220	>	RealType totalMass = 0.0;
1221
1222
1223		for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
1224	<	double mass = mol->getMass();
1224	>	RealType mass = mol->getMass();
1225		totalMass += mass;
1226		comVel += mass * mol->getComVel();
1227		}
1228
1229		#ifdef IS_MPI
1230	<	double tmpMass = totalMass;
1230	>	RealType tmpMass = totalMass;
1231		Vector3d tmpComVel(comVel);
1232	<	MPI_Allreduce(&tmpMass,&totalMass,1,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1233	<	MPI_Allreduce(tmpComVel.getArrayPointer(), comVel.getArrayPointer(),3,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1232	>	MPI_Allreduce(&tmpMass,&totalMass,1,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1233	>	MPI_Allreduce(tmpComVel.getArrayPointer(), comVel.getArrayPointer(),3,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1234		#endif
1235
1236		comVel /= totalMass;
#	Line 1216 \| Line 1243 \| namespace oopse {
1243		Molecule* mol;
1244
1245		Vector3d com(0.0);
1246	<	double totalMass = 0.0;
1246	>	RealType totalMass = 0.0;
1247
1248		for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
1249	<	double mass = mol->getMass();
1249	>	RealType mass = mol->getMass();
1250		totalMass += mass;
1251		com += mass * mol->getCom();
1252		}
1253
1254		#ifdef IS_MPI
1255	<	double tmpMass = totalMass;
1255	>	RealType tmpMass = totalMass;
1256		Vector3d tmpCom(com);
1257	<	MPI_Allreduce(&tmpMass,&totalMass,1,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1258	<	MPI_Allreduce(tmpCom.getArrayPointer(), com.getArrayPointer(),3,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1257	>	MPI_Allreduce(&tmpMass,&totalMass,1,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1258	>	MPI_Allreduce(tmpCom.getArrayPointer(), com.getArrayPointer(),3,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1259		#endif
1260
1261		com /= totalMass;
#	Line 1252 \| Line 1279 \| namespace oopse {
1279		Molecule* mol;
1280
1281
1282	<	double totalMass = 0.0;
1282	>	RealType totalMass = 0.0;
1283
1284
1285		for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
1286	<	double mass = mol->getMass();
1286	>	RealType mass = mol->getMass();
1287		totalMass += mass;
1288		com += mass * mol->getCom();
1289		comVel += mass * mol->getComVel();
1290		}
1291
1292		#ifdef IS_MPI
1293	<	double tmpMass = totalMass;
1293	>	RealType tmpMass = totalMass;
1294		Vector3d tmpCom(com);
1295		Vector3d tmpComVel(comVel);
1296	<	MPI_Allreduce(&tmpMass,&totalMass,1,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1297	<	MPI_Allreduce(tmpCom.getArrayPointer(), com.getArrayPointer(),3,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1298	<	MPI_Allreduce(tmpComVel.getArrayPointer(), comVel.getArrayPointer(),3,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1296	>	MPI_Allreduce(&tmpMass,&totalMass,1,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1297	>	MPI_Allreduce(tmpCom.getArrayPointer(), com.getArrayPointer(),3,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1298	>	MPI_Allreduce(tmpComVel.getArrayPointer(), comVel.getArrayPointer(),3,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1299		#endif
1300
1301		com /= totalMass;
#	Line 1287 \| Line 1314 \| namespace oopse {
1314		void SimInfo::getInertiaTensor(Mat3x3d &inertiaTensor, Vector3d &angularMomentum){
1315
1316
1317	<	double xx = 0.0;
1318	<	double yy = 0.0;
1319	<	double zz = 0.0;
1320	<	double xy = 0.0;
1321	<	double xz = 0.0;
1322	<	double yz = 0.0;
1317	>	RealType xx = 0.0;
1318	>	RealType yy = 0.0;
1319	>	RealType zz = 0.0;
1320	>	RealType xy = 0.0;
1321	>	RealType xz = 0.0;
1322	>	RealType yz = 0.0;
1323		Vector3d com(0.0);
1324		Vector3d comVel(0.0);
1325
#	Line 1304 \| Line 1331 \| namespace oopse {
1331		Vector3d thisq(0.0);
1332		Vector3d thisv(0.0);
1333
1334	<	double thisMass = 0.0;
1334	>	RealType thisMass = 0.0;
1335
1336
1337
#	Line 1342 \| Line 1369 \| namespace oopse {
1369		#ifdef IS_MPI
1370		Mat3x3d tmpI(inertiaTensor);
1371		Vector3d tmpAngMom;
1372	<	MPI_Allreduce(tmpI.getArrayPointer(), inertiaTensor.getArrayPointer(),9,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1373	<	MPI_Allreduce(tmpAngMom.getArrayPointer(), angularMomentum.getArrayPointer(),3,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1372	>	MPI_Allreduce(tmpI.getArrayPointer(), inertiaTensor.getArrayPointer(),9,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1373	>	MPI_Allreduce(tmpAngMom.getArrayPointer(), angularMomentum.getArrayPointer(),3,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1374		#endif
1375
1376		return;
#	Line 1364 \| Line 1391 \| namespace oopse {
1391		Vector3d thisr(0.0);
1392		Vector3d thisp(0.0);
1393
1394	<	double thisMass;
1394	>	RealType thisMass;
1395
1396		for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
1397		thisMass = mol->getMass();
#	Line 1377 \| Line 1404 \| namespace oopse {
1404
1405		#ifdef IS_MPI
1406		Vector3d tmpAngMom;
1407	<	MPI_Allreduce(tmpAngMom.getArrayPointer(), angularMomentum.getArrayPointer(),3,MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
1407	>	MPI_Allreduce(tmpAngMom.getArrayPointer(), angularMomentum.getArrayPointer(),3,MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);
1408		#endif
1409
1410		return angularMomentum;

Diff Legend

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines

Comparing trunk/src/brains/SimInfo.cpp (file contents): Revision 749 by tim, Wed Nov 16 23:10:02 2005 UTC vs. Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

Diff Legend

Comparing trunk/src/brains/SimInfo.cpp (file contents):
Revision 749 by tim, Wed Nov 16 23:10:02 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC