Changeset 543ce4 for molecuilder/src/atom.hpp
- Timestamp:
- Nov 4, 2009, 7:56:04 PM (16 years ago)
- Children:
- 4ef101, aa8542
- Parents:
- ec70ec
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/src/atom.hpp
rec70ec r543ce4 49 49 virtual ~atom(); 50 50 51 bool OutputIndexed(ofstream * out, const int ElementNo, const int AtomNo, const char *comment = NULL) const;52 bool OutputArrayIndexed(ofstream * out, const int *ElementNo, int *AtomNo, const char *comment = NULL) const;51 bool OutputIndexed(ofstream * const out, const int ElementNo, const int AtomNo, const char *comment = NULL) const; 52 bool OutputArrayIndexed(ofstream * const out, const int *ElementNo, int *AtomNo, const char *comment = NULL) const; 53 53 bool OutputXYZLine(ofstream *out) const; 54 bool OutputTrajectory(ofstream * out, const int *ElementNo, int *AtomNo, const int step) const;55 bool OutputTrajectoryXYZ(ofstream * out, const int step) const;56 void OutputMPQCLine(ofstream * out, const Vector *center, int *AtomNo) const;54 bool OutputTrajectory(ofstream * const out, const int *ElementNo, int *AtomNo, const int step) const; 55 bool OutputTrajectoryXYZ(ofstream * const out, const int step) const; 56 void OutputMPQCLine(ofstream * const out, const Vector *center, int *AtomNo) const; 57 57 58 58 void InitComponentNr();
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