[ViewVC] Diff of: OpenMD/branches/development/src/nonbonded/SC.cpp

Comparing branches/development/src/nonbonded/SC.cpp (file contents):
Revision 1575 by gezelter, Fri Jun 3 21:39:49 2011 UTC vs.
Revision 1586 by gezelter, Tue Jun 21 06:34:35 2011 UTC

#	Line 329 \| Line 329 \| namespace OpenMD {
329		*(sdat.frho) = u;
330		(sdat.dfrhodrho) = 0.5 (sdat.frho) / (sdat.rho);
331
332	<	sdat.pot[METALLIC_FAMILY] += u;
332	>	(*(sdat.pot))[METALLIC_FAMILY] += u;
333		*(sdat.particlePot) += u;
334
335		return;
#	Line 379 \| Line 379 \| namespace OpenMD {
379		(idat.particlePot1) -= data2.c data2.epsilon *
380		sqrt( (idat.rho2) - rhtmp) + (idat.frho2);
381
382	<	(idat.particlePot1) -= data1.c data1.epsilon *
382	>	(idat.particlePot2) -= data1.c data1.epsilon *
383		sqrt( (idat.rho1) - rhtmp) + (idat.frho1);
384
385	<	idat.pot[METALLIC_FAMILY] += pot_temp;
385	>	(*(idat.pot))[METALLIC_FAMILY] += pot_temp;
386		}
387
388		return;

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