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

Comparing trunk/src/brains/Snapshot.cpp (file contents):
Revision 1925 by gezelter, Wed Aug 7 15:24:16 2013 UTC vs.
Revision 2022 by gezelter, Fri Sep 26 22:22:28 2014 UTC

#	Line 130 \| Line 130 \| namespace OpenMD {
130		frameData.pressure = 0.0;
131		frameData.temperature = 0.0;
132		frameData.pressureTensor = Mat3x3d(0.0);
133	<	frameData.systemDipole = Vector3d(0.0);
133	>	frameData.systemDipole = Vector3d(0.0);
134	>	frameData.systemQuadrupole = Mat3x3d(0.0);
135		frameData.convectiveHeatFlux = Vector3d(0.0, 0.0, 0.0);
136		frameData.electronicTemperature = 0.0;
137		frameData.COM = V3Zero;
#	Line 154 \| Line 155 \| namespace OpenMD {
155		hasCOMw = false;
156		hasPressureTensor = false;
157		hasSystemDipole = false;
158	+	hasSystemQuadrupole = false;
159		hasConvectiveHeatFlux = false;
160		hasInertiaTensor = false;
161		hasGyrationalVolume = false;
#	Line 189 \| Line 191 \| namespace OpenMD {
191		/** Returns the number of rigid bodies */
192		int Snapshot::getNumberOfCutoffGroups() {
193		return cgData.getSize();
194	+	}
195	+
196	+	/** Returns the number of bytes in a FrameData structure */
197	+	int Snapshot::getFrameDataSize() {
198	+	return sizeof(FrameData);
199		}
200
201		/** Returns the H-Matrix */
#	Line 597 \| Line 604 \| namespace OpenMD {
604		frameData.systemDipole = bd;
605		}
606
607	+	Mat3x3d Snapshot::getSystemQuadrupole() {
608	+	return frameData.systemQuadrupole;
609	+	}
610	+
611	+	void Snapshot::setSystemQuadrupole(const Mat3x3d& bq) {
612	+	hasSystemQuadrupole = true;
613	+	frameData.systemQuadrupole = bq;
614	+	}
615	+
616		void Snapshot::setThermostat(const pair<RealType, RealType>& thermostat) {
617		frameData.thermostat = thermostat;
618		}

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