# | Line 1 | Line 1 | |
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1 | < | /* |
1 | > | /* |
2 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | |
3 | * | |
4 | * The University of Notre Dame grants you ("Licensee") a | |
# | Line 135 | Line 135 | namespace oopse { | |
135 | return atp.is_Dipole; | |
136 | } | |
137 | ||
138 | + | bool isSplitDipole() { |
139 | + | return atp.is_SplitDipole; |
140 | + | } |
141 | + | |
142 | bool isQuadrupole() { | |
143 | return atp.is_Quadrupole; | |
144 | } | |
# | Line 214 | Line 218 | namespace oopse { | |
218 | struct LJParam { | |
219 | double epsilon; | |
220 | double sigma; | |
221 | + | int soft_pot; |
222 | }; | |
223 | typedef SimpleTypeData<LJParam> LJParamGenericData; | |
224 |
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