File
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Last Change |
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3448 (16 years ago) by gezelter: Added some logic to print out a special pair distance as a column in the stat file. To use this feature, use taggedAtomPair = "0, 10" and printTaggedPairDistance = "true" in the md file. Then, the distance between integrableObjects 0 and 10 will be computed and printed in the stat file on each statWrite. |
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3478 (15 years ago) by gezelter: added viscoConvert |
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3463 (15 years ago) by chuckv: Returned old LD forces to SMIPDForceManager. |
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2759 (18 years ago) by tim: Adding single precision capabilities to c++ side |
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3342 (16 years ago) by gezelter: updating configure process |
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3342 (16 years ago) by gezelter: updating configure process |
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3466 (15 years ago) by gezelter: many changes to keep track of particle potentials for both bonded and non-bonded interactions |
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3432 (16 years ago) by gezelter: Changes for implementing Amber force field: Added Inversions and worked on BaseAtomTypes so that they'd function with the fortran side. |
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3432 (16 years ago) by gezelter: Changes for implementing Amber force field: Added Inversions and worked on BaseAtomTypes so that they'd function with the fortran side. |
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3482 (15 years ago) by chuckv: Different method again for Langevin Dynamics. |
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3446 (16 years ago) by cli2: Inversion fixes and amber mostly working |
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3490 (15 years ago) by gezelter: Adding options to RNEMD for selecting particular StuntDoubles |
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3490 (15 years ago) by gezelter: Adding options to RNEMD for selecting particular StuntDoubles |
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3479 (15 years ago) by gezelter: use the viscoConvert in OOPSEConstant |
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3342 (16 years ago) by gezelter: updating configure process |
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3487 (15 years ago) by gezelter: adding support for RNEMD |
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3479 (15 years ago) by gezelter: use the viscoConvert in OOPSEConstant |
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2970 (18 years ago) by gezelter: starting change of file formats |
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3470 (15 years ago) by gezelter: General bug-fixes and other changes to make particle pots work with the Helfand Energy correlation function |
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3343 (16 years ago) by gezelter: fixing configure process |