| Revision: | 3520 |
| Committed: | Mon Sep 7 16:31:51 2009 UTC (16 years, 4 months ago) by cli2 |
| File size: | 310 byte(s) |
| Log Message: | Added new restraint infrastructure Added MolecularRestraints Added ObjectRestraints Added RestraintStamp Updated thermodynamic integration to use ObjectRestraints Added Quaternion mathematics for twist swing decompositions Significantly updated RestWriter and RestReader to use dump-like files Added selections for x, y, and z coordinates of atoms Removed monolithic Restraints class Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody Added some rotational capabilities to prinicpalAxisCalculator |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1951 | Package = restraints |
| 2 | |||
| 3 | gezelter | 1490 | Source = \ |
| 4 | cli2 | 3520 | ObjectRestraint.cpp \ |
| 5 | MolecularRestraint.cpp \ | ||
| 6 | RestraintForceManager.cpp \ | ||
| 7 | chrisfen | 2101 | ThermoIntegrationForceManager.cpp |
| 8 | gezelter | 1490 | |
| 9 | gezelter | 3342 | ParallelSource = \ |
| 10 | cli2 | 3520 | RestraintForceManager.cpp \ |
| 11 | gezelter | 3342 | ThermoIntegrationForceManager.cpp |
| 12 | |||
| 13 | gezelter | 1490 | RmiSource = |
| 14 | |||
| 15 | Main = | ||
| 16 | |||
| 17 | tim | 1513 | DEV_ROOT=../.. |
| 18 | include $(DEV_ROOT)/make/Makefile | ||
| 19 |