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

Comparing trunk/src/brains/Stats.cpp (file contents):
Revision 1924 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1925 by gezelter, Wed Aug 7 15:24:16 2013 UTC

#	Line 201 \| Line 201 \| namespace OpenMD {
201		data_[HYDROGENBONDING_POTENTIAL] = hydrogenbonding_potential;
202		statsMap_["HYDROGENBONDING_POTENTIAL"] = HYDROGENBONDING_POTENTIAL;
203
204	+	StatsData reciprocal_potential;
205	+	reciprocal_potential.units = "kcal/mol";
206	+	reciprocal_potential.title = "Reciprocal Space Potential";
207	+	reciprocal_potential.dataType = "RealType";
208	+	reciprocal_potential.accumulator = new Accumulator();
209	+	data_[RECIPROCAL_POTENTIAL] = reciprocal_potential;
210	+	statsMap_["RECIPROCAL_POTENTIAL"] = RECIPROCAL_POTENTIAL;
211	+
212		StatsData short_range_potential;
213		short_range_potential.units = "kcal/mol";
214		short_range_potential.title = "Short Range Potential";
#	Line 490 \| Line 498 \| namespace OpenMD {
498		case HYDROGENBONDING_POTENTIAL:
499		dynamic_cast<Accumulator *>(data_[i].accumulator)->add(snap->getLongRangePotentials()[HYDROGENBONDING_FAMILY]);
500		break;
501	+	case RECIPROCAL_POTENTIAL:
502	+	dynamic_cast<Accumulator *>(data_[i].accumulator)->add(snap->getReciprocalPotential());
503	+	break;
504		case SHORT_RANGE_POTENTIAL:
505		dynamic_cast<Accumulator *>(data_[i].accumulator)->add(snap->getShortRangePotential());
506		break;

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