90 |
|
|
91 |
|
|
92 |
|
double EAM::getRcutFromAtomType(AtomType* at){ |
93 |
< |
|
93 |
> |
double rcut = 0.0; |
94 |
|
if (at->isEAM()) { |
95 |
|
GenericData* data = at->getPropertyByName("EAM"); |
96 |
|
if (data != NULL) { |
99 |
|
if (eamData != NULL) { |
100 |
|
|
101 |
|
EAMParam& eamParam = eamData->getData(); |
102 |
< |
return eamParam.rcut; |
102 |
> |
rcut = eamParam.rcut; |
103 |
|
} else { |
104 |
|
sprintf( painCave.errMsg, |
105 |
|
"Can not cast GenericData to EAMParam\n"); |
114 |
|
simError(); |
115 |
|
} |
116 |
|
} else { |
117 |
< |
return ForceField::getRcutFromAtomType(at); |
117 |
> |
rcut = ForceField::getRcutFromAtomType(at); |
118 |
|
} |
119 |
< |
|
119 |
> |
|
120 |
> |
return rcut; |
121 |
|
} |
122 |
|
|
123 |
|
} //end namespace oopse |