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

Comparing branches/development/src/nonbonded/EAM.cpp (file contents):
Revision 1505 by gezelter, Sun Oct 3 22:18:59 2010 UTC vs.
Revision 1536 by gezelter, Wed Jan 5 14:49:05 2011 UTC

#	Line 347 \| Line 347 \| namespace OpenMD {
347		return;
348		}
349
350	<	void EAM::calcDensity(DensityData ddat) {
350	>	void EAM::calcDensity(DensityData &ddat) {
351
352		if (!initialized_) initialize();
353
#	Line 363 \| Line 363 \| namespace OpenMD {
363		return;
364		}
365
366	<	void EAM::calcFunctional(FunctionalData fdat) {
366	>	void EAM::calcFunctional(FunctionalData &fdat) {
367
368		if (!initialized_) initialize();
369
#	Line 377 \| Line 377 \| namespace OpenMD {
377		}
378
379
380	<	void EAM::calcForce(InteractionData idat) {
380	>	void EAM::calcForce(InteractionData &idat) {
381
382		if (!initialized_) initialize();
383
#	Line 478 \| Line 478 \| namespace OpenMD {
478		idat.fshift1 = data1.F->getValueAt( idat.rho1 - rhb );
479		idat.fshift2 = data1.F->getValueAt( idat.rho2 - rha );
480
481	<	idat.pot += phab;
481	>	idat.pot[3] += phab;
482
483	<	idat.vpair += phab;
483	>	idat.vpair[3] += phab;
484		}
485
486		return;

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines