[ViewVC] Diff of: group/trunk/OOPSE-4/src/types/AtomType.cpp

Comparing trunk/OOPSE-4/src/types/AtomType.cpp (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2406 by chuckv, Tue Nov 1 23:32:25 2005 UTC

#	Line 68 \| Line 68 \| namespace oopse {
68		atp.is_SplitDipole = 0;
69		atp.is_Quadrupole = 0;
70		atp.is_Sticky = 0;
71	+	atp.is_StickyPower = 0;
72		atp.is_GayBerne = 0;
73		atp.is_EAM = 0;
74		atp.is_Shape = 0;
75		atp.is_FLARB = 0;
76	+	atp.is_SuttonChen = 0;
77	+	atp.is_MEAM = 0;
78		}
79
80		void AtomType::makeFortranAtomType() {
#	Line 97 \| Line 100 \| namespace oopse {
100		}
101
102		status = 0;
103	<
103	>
104		makeAtype(&atp, &status);
105
106		if (status != 0) {
#	Line 123 \| Line 126 \| namespace oopse {
126		if (ljData != NULL) {
127		LJParam ljParam = ljData->getData();
128
129	<	newLJtype(&atp.ident, &ljParam.sigma, &ljParam.epsilon, &ljParam.soft_pot, &isError);
129	>	newLJtype(&atp.ident, &ljParam.sigma, &ljParam.epsilon, &ljParam.soft_pot,
130	>	&isError);
131
132		if (isError != 0) {
133		sprintf( painCave.errMsg,
#	Line 200 \| Line 204 \| namespace oopse {
204		EAMParam eamParam = eamData->getData();
205
206
207	<	newEAMtype(&eamParam.latticeConstant, &eamParam.nrho, &eamParam.drho, &eamParam.nr, &eamParam.dr, &eamParam.rcut,
208	<	&eamParam.rvals[0], &eamParam.rhovals[0], &eamParam.Frhovals[0], &atp.ident, &isError );
207	>	newEAMtype(&eamParam.latticeConstant, &eamParam.nrho, &eamParam.drho,
208	>	&eamParam.nr, &eamParam.dr, &eamParam.rcut, &eamParam.rvals[0],
209	>	&eamParam.rhovals[0], &eamParam.Frhovals[0], &atp.ident,
210	>	&isError );
211
212		if (isError != 0) {
213		sprintf( painCave.errMsg,

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