[ViewVC] Diff of: group/branches/no-template-branch/OOPSE/libmdtools/StatWriter.cpp

Comparing trunk/OOPSE/libmdtools/StatWriter.cpp (file contents):
Revision 723 by mmeineke, Tue Aug 26 20:12:51 2003 UTC vs.
Revision 829 by gezelter, Tue Oct 28 16:03:37 2003 UTC

#	Line 1 \| Line 1
1		#define _FILE_OFFSET_BITS 64
2
3	<	#include <cstring>
3	>	#include <string.h>
4		#include <iostream>
5		#include <fstream>
6
#	Line 32 \| Line 32 \| *StatWriter::StatWriter( SimInfo the_entry_plug ){**
32		}
33
34		//outFile.setf( ios::scientific );
35	<	outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tenthalpy\n";
35	>	outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tconserved quantity\n";
36
37
38
#	Line 63 \| Line 63 \| void StatWriter::writeStat( double currentTime ){
63
64		void StatWriter::writeStat( double currentTime ){
65
66	<	double totE, potE, kinE, temp, press, vol, enthalpy;
66	>	double totE, potE, kinE, temp, press, vol;
67	>	double conservedQuantity;
68
69		totE = tStats->getTotalE();
70		potE = tStats->getPotential();
#	Line 71 \| Line 72 \| void StatWriter::writeStat( double currentTime ){
72		temp = tStats->getTemperature();
73		press = tStats->getPressure();
74		vol = tStats->getVolume();
75	<	enthalpy = tStats->getEnthalpy();
75	<
75	>	conservedQuantity = entry_plug->the_integrator->getConservedQuantity();
76		#ifdef IS_MPI
77		if(worldRank == 0 ){
78		#endif // is_mpi
#	Line 86 \| Line 86 \| void StatWriter::writeStat( double currentTime ){
86		<< temp << "\t"
87		<< press << "\t"
88		<< vol << "\t"
89	<	<< enthalpy << "\n";
89	>	<< conservedQuantity << "\n";
90
91		outFile.flush();
92

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