| 41 |
|
|
| 42 |
|
|
| 43 |
|
#include "UseTheForce/DUFF.hpp" |
| 44 |
– |
#include "UseTheForce/DarkSide/sticky_interface.h" |
| 44 |
|
#include "UseTheForce/ForceFieldFactory.hpp" |
| 45 |
|
#include "io/BaseAtomTypesSectionParser.hpp" |
| 46 |
|
#include "io/DirectionalAtomTypesSectionParser.hpp" |
| 104 |
|
|
| 105 |
|
} |
| 106 |
|
} |
| 108 |
– |
at->makeFortranAtomType(); |
| 107 |
|
} |
| 108 |
|
|
| 111 |
– |
for (at = atomTypeCont_.beginType(i); at != NULL; |
| 112 |
– |
at = atomTypeCont_.nextType(i)) { |
| 113 |
– |
at->complete(); |
| 114 |
– |
} |
| 115 |
– |
|
| 116 |
– |
int isError = 0; |
| 117 |
– |
|
| 109 |
|
delete ffStream; |
| 110 |
|
} |
| 111 |
|
|
| 121 |
– |
DUFF::~DUFF(){ |
| 122 |
– |
destroyStickyTypes(); |
| 123 |
– |
} |
| 112 |
|
} //end namespace OpenMD |