[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/StatWriter.cpp

Comparing trunk/OOPSE/libmdtools/StatWriter.cpp (file contents):
Revision 1179 by tim, Tue Mar 2 20:32:40 2004 UTC vs.
Revision 1180 by chrisfen, Thu May 20 20:24:07 2004 UTC

#	Line 18 \| Line 18 \| *StatWriter::StatWriter( SimInfo the_entry_plug ){**
18		#endif // is_mpi
19
20		strcpy( outName, entry_plug->statusName );
21	<
21	>	strcpy( rawName, entry_plug->rawPotName );
22	>
23		//std::cerr << "Opening " << outName << " for stat\n";
24
25		outFile.open(outName, ios::out \| ios::trunc );
#	Line 32 \| Line 33 \| *StatWriter::StatWriter( SimInfo the_entry_plug ){**
33		simError();
34		}
35
36	+	rawFile.open(rawName, ios::out \| ios::trunc );
37	+
38	+	if( !rawFile ){
39	+
40	+	sprintf( painCave.errMsg,
41	+	"Could not open \"%s\" for stat output.\n",
42	+	rawName);
43	+	painCave.isFatal = 1;
44	+	simError();
45	+	}
46	+
47		//outFile.setf( ios::scientific );
48		outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tconserved quantity\n";
49
50	<
50	>	rawFile << "#time(fs)\tRaw Pot\t Raw Harm\n";
51
52		#ifdef IS_MPI
53		}
#	Line 55 \| Line 67 \| StatWriter::~StatWriter( ){
67		#endif // is_mpi
68
69		outFile.close();
70	+	rawFile.close();
71		delete tStats;
72
73		#ifdef IS_MPI
#	Line 95 \| Line 108 \| void StatWriter::writeStat( double currentTime ){
108		}
109		#endif // is_mpi
110		}
111	+
112	+	void StatWriter::writeRaw( double currentTime ){
113	+
114	+	double rawPot, rawHarm;
115	+
116	+	rawPot = entry_plug->vRaw;
117	+	rawHarm = entry_plug->vHarm;
118	+
119	+	#ifdef IS_MPI
120	+	if(worldRank == 0 ){
121	+	#endif // is_mpi
122	+
123	+	rawFile.precision(8);
124	+	rawFile
125	+	<< currentTime << "\t"
126	+	<< rawPot << "\t"
127	+	<< rawHarm << "\n";
128	+
129	+	rawFile.flush();
130	+
131	+	#ifdef IS_MPI
132	+	}
133	+	#endif // is_mpi
134	+	}

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