| version 1.1005 | version 1.1006 | ||
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| #include "ComputeDihedrals.h" | #include "ComputeDihedrals.h" | ||
| inline DihedralElem::DihedralElem() | inline DihedralElem::DihedralElem() { ; } | ||
| { | |||
| atomID[0] = -1; | |||
| atomID[1] = -1; | |||
| atomID[2] = -1; | |||
| atomID[3] = -1; | |||
| p[0] = NULL; | |||
| p[1] = NULL; | |||
| p[2] = NULL; | |||
| p[3] = NULL; | |||
| } | |||
| inline DihedralElem::DihedralElem(AtomID atom0, const TupleSignature *sig, const DihedralValue *v){ | inline DihedralElem::DihedralElem(AtomID atom0, const TupleSignature *sig, const DihedralValue *v){ | ||
| atomID[0] = atom0; | atomID[0] = atom0; |
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