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

Comparing trunk/OOPSE/libmdtools/NPTfm.cpp (file contents):
Revision 658 by tim, Thu Jul 31 15:35:07 2003 UTC vs.
Revision 746 by mmeineke, Thu Sep 4 21:48:35 2003 UTC

#	Line 9 \| Line 9
9		#include "ReadWrite.hpp"
10		#include "Integrator.hpp"
11		#include "simError.h"
12	+
13
14		// Basic non-isotropic thermostating and barostating via the Melchionna
15		// modification of the Hoover algorithm:
#	Line 328 \| Line 329 \| template<typename T> void NPTfm<T>::moveB( void ){
329		}
330		}
331
332	+	template<typename T> void NPTfm<T>::resetIntegrator() {
333	+	int i,j;
334	+
335	+	chi = 0.0;
336	+
337	+	for(i = 0; i < 3; i++)
338	+	for (j = 0; j < 3; j++)
339	+	eta[i][j] = 0.0;
340	+	}
341	+
342		template<typename T> int NPTfm<T>::readyCheck() {
343
344		//check parent's readyCheck() first

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