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

Comparing trunk/OOPSE/libmdtools/Verlet.cpp (file contents):
Revision 478 by gezelter, Tue Apr 8 14:39:40 2003 UTC vs.
Revision 479 by chuckv, Tue Apr 8 15:20:44 2003 UTC

#	Line 315 \| Line 315 \| void Verlet::integrate( void ){
315		if( !(time % vel_n) ) tStats->velocitize();
316		}
317		if( !(time % sample_n) ) dump_out->writeDump( time * dt );
318	+
319		if( !((time+1) % status_n) ) {
320		calcPot = 1;
321	<	// bitwise masking in case we need it for NPT
321	<	calcStress = (!strcasecmp(entry_plug->ensemble,"NPT")) && 1;
321	>	calcStress = 1;
322		}
323		if( !(time % status_n) ){
324		e_out->writeStat( time * dt );
325		calcPot = 0;
326	<	// bitwise masking in case we need it for NPT
327	<	calcStress = (!strcasecmp(entry_plug->ensemble,"NPT")) && 0;
326	>	if (!strcasecmp(entry_plug->ensemble, "NPT")) calcStress = 1;
327	>	else calcStress = 0;
328		}
329		}
330		}
#	Line 360 \| Line 360 \| void Verlet::integrate( void ){
360		if( !(time % sample_n) ) dump_out->writeDump( time * dt );
361		if( !((time+1) % status_n) ) {
362		calcPot = 1;
363	<	// bitwise masking in case we need it for NPT
364	<	calcStress = (!strcasecmp(entry_plug->ensemble,"NPT")) && 1;
363	>	calcStress = 1;
364		}
365		if( !(time % status_n) ){
366		e_out->writeStat( time * dt );
367		calcPot = 0;
368	<	// bitwise masking in case we need it for NPT
369	<	calcStress = (!strcasecmp(entry_plug->ensemble,"NPT")) && 0;
368	>	if (!strcasecmp(entry_plug->ensemble, "NPT")) calcStress = 1;
369	>	else calcStress = 0;
370		}
371		}
372		}

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