File
|
Last Change |
|---|---|
 ../
|
|
UseTheForce/
|
3497 (16 years ago) by gezelter: fixed a bug in self interactions |
|
antlr/
|
2970 (19 years ago) by gezelter: starting change of file formats |
|
applications/
|
3479 (16 years ago) by gezelter: use the viscoConvert in OOPSEConstant |
|
brains/
|
3487 (16 years ago) by gezelter: adding support for RNEMD |
|
constraints/
|
3342 (17 years ago) by gezelter: updating configure process |
|
hydrodynamics/
|
3479 (16 years ago) by gezelter: use the viscoConvert in OOPSEConstant |
|
integrators/
|
3498 (16 years ago) by skuang: Added a getStatus routine to check the temperatures |
|
io/
|
3490 (16 years ago) by gezelter: Adding options to RNEMD for selecting particular StuntDoubles |
|
lattice/
|
3446 (17 years ago) by cli2: Inversion fixes and amber mostly working |
|
math/
|
3495 (16 years ago) by gezelter: adding jama and tnt libraries for various linear algebra routines |
|
mdParser/
|
3432 (17 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. |
|
minimizers/
|
3432 (17 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. |
|
primitives/
|
3466 (17 years ago) by gezelter: many changes to keep track of particle potentials for both bonded and non-bonded interactions |
|
profiling/
|
3342 (17 years ago) by gezelter: updating configure process |
|
restraints/
|
3342 (17 years ago) by gezelter: updating configure process |
|
selection/
|
2759 (19 years ago) by tim: Adding single precision capabilities to c++ side |
|
types/
|
3463 (17 years ago) by chuckv: Returned old LD forces to SMIPDForceManager. |
|
utils/
|
3478 (16 years ago) by gezelter: added viscoConvert |
|
visitors/
|
3448 (17 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. |
config.h.in
|
3343 (17 years ago) by gezelter: fixing configure process |