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

Comparing trunk/OOPSE/libmdtools/NVT.cpp (file contents):
Revision 837 by tim, Wed Oct 29 00:19:10 2003 UTC vs.
Revision 853 by mmeineke, Thu Nov 6 19:11:38 2003 UTC

#	Line 1 \| Line 1
1	+	#include <math.h>
2	+
3		#include "Atom.hpp"
4		#include "SRI.hpp"
5		#include "AbstractClasses.hpp"
#	Line 269 \| Line 271 \| template<typename T> double NVT<T>::getConservedQuanti
271
272		conservedQuantity = Energy + thermostat_kinetic + thermostat_potential;
273
272	–	cerr << info->getTime() << "\t" << Energy << "\t" << thermostat_kinetic <<
273	–	"\t" << thermostat_potential << "\t" << conservedQuantity << endl;
274	–
274		return conservedQuantity;
275		}
276
#	Line 280 \| Line 279 \| template<typename T> string NVT<T>::getAdditionalParam
279		const int BUFFERSIZE = 2000; // size of the read buffer
280		char buffer[BUFFERSIZE];
281
282	<	sprintf(buffer,"\t%g\t%g;", chi, integralOfChidt);
282	>	sprintf(buffer,"\t%G\t%G;", chi, integralOfChidt);
283		parameters += buffer;
284
285		return parameters;

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