[ViewVC] Diff of: group/trunk/OOPSE_old/src/mdtools/libmdCode/Verlet.cpp

Comparing trunk/OOPSE_old/src/mdtools/libmdCode/Verlet.cpp (file contents):
Revision 270 by mmeineke, Fri Feb 14 17:08:46 2003 UTC vs.
Revision 365 by mmeineke, Tue Mar 18 22:17:31 2003 UTC

#	Line 3 \| Line 3
3
4		#include "Atom.hpp"
5		#include "SRI.hpp"
6	–	#include "LRI.hpp"
6		#include "Integrator.hpp"
7		#include "SimInfo.hpp"
8		#include "Thermo.hpp"
#	Line 164 \| Line 163 \| void Verlet::integrate( void ){
163		// the first time integrate is called, the forces need to be initialized
164
165
166	<	myFF->doForces(1);
166	>	myFF->doForces(1,0);
167
168		if( entry_plug->setTemp ){
169		tStats->velocitize();
#	Line 216 \| Line 215 \| void Verlet::integrate( void ){
215
216		// calculate the forces
217
218	<	myFF->doForces(calcPot);
218	>	myFF->doForces(calcPot,0);
219
220		// finish the constrain move ( same as above. )
221
#	Line 269 \| Line 268 \| void Verlet::integrate( void ){
268
269		// calculate the forces
270
271	<	myFF->doForces(calcPot);
271	>	myFF->doForces(calcPot,0);
272
273		// complete the verlet move
274

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