[ViewVC] Diff of: OpenMD/trunk/src/nonbonded/RepulsivePower.cpp

Comparing trunk/src/nonbonded/RepulsivePower.cpp (file contents):
Revision 2031 by jmichalk, Fri Oct 31 18:40:40 2014 UTC vs.
Revision 2071 by gezelter, Sat Mar 7 21:41:51 2015 UTC

#	Line 52 \| Line 52 \| namespace OpenMD {
52
53		namespace OpenMD {
54
55	<	RepulsivePower::RepulsivePower() : name_("RepulsivePower"),
56	<	initialized_(false), forceField_(NULL) {}
55	>	RepulsivePower::RepulsivePower() : initialized_(false), forceField_(NULL),
56	>	name_("RepulsivePower") {}
57
58		void RepulsivePower::initialize() {
59
#	Line 174 \| Line 174 \| namespace OpenMD {
174		*(idat.vpair) += pot_temp;
175
176		RealType dudr = (idat.sw) (idat.vdwMult) epsilon * (myDeriv -
177	<	myDerivC)*sigmai;
177	>	myDerivC)*sigmai;
178
179		((idat.pot))[VANDERWAALS_FAMILY] += (idat.sw) * pot_temp;
180		(idat.f1) = (idat.d) * dudr / *(idat.rij);
#	Line 182 \| Line 182 \| namespace OpenMD {
182		return;
183		}
184
185	<	void RepulsivePower::getNRepulsionFunc(const RealType &r, int &n, RealType &pot, RealType &deriv) {
185	>	void RepulsivePower::getNRepulsionFunc(const RealType &r, int &n,
186	>	RealType &pot, RealType &deriv) {
187
188		RealType ri = 1.0 / r;
189		RealType rin = pow(ri, n);

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