44 |
|
* |
45 |
|
* Created by Charles F. Vardeman II on 11/9/05. |
46 |
|
* @author Charles F. Vardeman II |
47 |
< |
* @version $Id: SC_FF.cpp,v 1.1 2005-11-14 21:29:25 chuckv Exp $ |
47 |
> |
* @version $Id: SC_FF.cpp,v 1.3 2005-11-16 21:37:43 chuckv Exp $ |
48 |
|
* |
49 |
|
*/ |
50 |
|
|
86 |
|
//not important. |
87 |
|
spMan_.push_back(new DirectionalAtomTypesSectionParser()); |
88 |
|
spMan_.push_back(new AtomTypesSectionParser()); |
89 |
– |
spMan_.push_back(new LennardJonesAtomTypesSectionParser()); |
90 |
– |
spMan_.push_back(new ChargeAtomTypesSectionParser()); |
91 |
– |
spMan_.push_back(new MultipoleAtomTypesSectionParser()); |
92 |
– |
spMan_.push_back(new EAMAtomTypesSectionParser()); |
93 |
– |
spMan_.push_back(new StickyAtomTypesSectionParser()); |
94 |
– |
spMan_.push_back(new BondTypesSectionParser()); |
95 |
– |
spMan_.push_back(new BendTypesSectionParser()); |
96 |
– |
spMan_.push_back(new TorsionTypesSectionParser()); |
89 |
|
spMan_.push_back(new SCAtomTypesSectionParser()); |
90 |
|
|
91 |
|
} |
113 |
|
|
114 |
|
SC_FF::~SC_FF(){ |
115 |
|
// We need to clean up the fortran side so we don't have bad things happen if |
116 |
< |
// we try to create a second EAM force field. |
116 |
> |
// we try to create a second SC force field. |
117 |
|
destroySCTypes(); |
118 |
|
} |
119 |
|
} //end namespace oopse |