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OpenMD 3.2
Molecular Dynamics in the Open
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Public Types | |
| enum | ConsStatus { consFail = -1 , consSuccess = 0 , consAlready = 1 } |
Public Member Functions | |
| Shake (SimInfo *info) | |
| void | constraintR () |
| void | constraintF () |
| int | getMaxConsIteration () |
| void | setMaxConsIteration (int iteration) |
| RealType | getConsTolerance () |
| void | setConsTolerance (RealType tolerance) |
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inline |
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inline |