Changeset c12297 for molecuilder/src/datacreator.hpp
- Timestamp:
- Jul 9, 2009, 10:38:53 AM (16 years ago)
- Children:
- bd86e8
- Parents:
- 669a7e
- File:
-
- 1 edited
-
molecuilder/src/datacreator.hpp (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
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molecuilder/src/datacreator.hpp
r669a7e rc12297 20 20 bool AppendOutputFile(ofstream &output, const char *dir, const char *filename); 21 21 22 bool CreateDataEnergyOrder(class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum);23 bool CreateDataDeltaEnergyOrder(class EnergyMatrix &Energy, class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum);24 bool CreateDataForcesOrder(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateForce)(class MatrixContainer &, int));25 bool CreateDataForcesOrderPerAtom(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum);26 bool CreateDataDeltaForcesOrder(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateForce)(class MatrixContainer &, int));27 bool CreateDataDeltaForcesOrderPerAtom(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum);28 bool CreateDataFragment(class MatrixContainer &ForceFragments, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateForce)(class MatrixContainer &, int));29 bool CreateDataFragmentOrder(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, c har *dir, char *prefix, char *msg,char *datum, void (*CreateFragmentOrder)(class MatrixContainer &, class KeySetsContainer &, int));22 bool CreateDataEnergyOrder(class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum); 23 bool CreateDataDeltaEnergyOrder(class EnergyMatrix &Energy, class EnergyMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum); 24 bool CreateDataForcesOrder(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum, void (*CreateForce)(class MatrixContainer &, int)); 25 bool CreateDataForcesOrderPerAtom(class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum); 26 bool CreateDataDeltaForcesOrder(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum, void (*CreateForce)(class MatrixContainer &, int)); 27 bool CreateDataDeltaForcesOrderPerAtom(class ForceMatrix &Force, class ForceMatrix &Fragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum); 28 bool CreateDataFragment(class MatrixContainer &ForceFragments, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum, void (*CreateForce)(class MatrixContainer &, int)); 29 bool CreateDataFragmentOrder(class MatrixContainer &Fragment, class KeySetsContainer &KeySet, const char *dir, const char *prefix, const char *msg, const char *datum, void (*CreateFragmentOrder)(class MatrixContainer &, class KeySetsContainer &, int)); 30 30 31 31 void CreateEnergy(class MatrixContainer &Energy, int MatrixNumber);
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