Update default behavior and documentation for Drude
[namd.git] / src / ComputeBonds.C
2019-03-29 radakbUpdate default behavior and documentation for Drude 43/5043/2
2018-06-27 Jérôme HéninInitial version of IDWS 67/4267/9
2016-06-08 Jim PhillipsBug fix from Brian Radak for alchFep bonded energy...
2016-02-08 Jim PhillipsUnify reductions for alchemical scaling of bonded terms...
2016-02-07 Jim PhillipsAlchemical features from Brian Radak:
2015-10-12 Jim PhillipsRefactor bonded compute loops to simplify hoisting...
2012-06-05 David HardyHard wall constraints on Drude oscillators implemented...
2010-09-17 Jim PhillipsFix Drude bug where DrudeBondLen restraint was applied...
2010-01-22 David HardyCan now set quartic restraints on Drude bonds to keep...
2009-12-18 David HardyRemoved dead code and prior comment concerning loadTupl...
2008-12-18 Jim PhillipsSlightly more efficient splitting between CompAtom...
2008-12-18 Jim PhillipsRearrange CompAtom and CompAtomExt fields to support...
2008-09-26 David HardyDrude water model support enabled
2008-06-17 Chao MeiFixed some bugs when macro DEBUGM is defined.
2007-03-16 Chao MeiChanges due to using atom signatures for the sake of...
2006-06-07 Jim PhillipsJustin's new pressure profile patch.
2006-06-05 Jim PhillipsChanged cout and endl to std::cout and std::endl
2005-10-14 Gengbin Zhengminor change to work around a compiler bug with gcc...
2002-11-06 Justin GullingsrudAdded pressure profile code and associated documentation.
2002-05-06 Justin GullingsrudMade LES apply to nonbonded interactions.
2000-09-13 Jim PhillipsCompleted int to int32 changes.
2000-04-11 Jim PhillipsCleaned up tuple classes.
2000-02-29 Jim PhillipsEliminated multiple arrays in Patch and HomePatch.
1999-10-06 Jim PhillipsCalculates full pressure tensor.
1999-09-24 Jim PhillipsCleaned up initial comments and copyright notice.
1999-09-24 Jim PhillipsRemoved RCS logs and dead files.
1999-06-17 Jim PhillipsRenamed seq to step in most places. Now has meaning...
1999-06-17 Jim PhillipsCompletely rewrote reduction system to eliminate need...
1999-01-06 Jim PhillipsAll compute objects except DPMTA now return diagonal...
1998-06-18 Jim PhillipsSplit virial into NORMAL, NBOND, and SLOW parts to...
1997-10-17 Jim PhillipsSwitched from hash tables to checklists, eliminated...
1997-09-28 Jim PhillipsModified tuple-based computations to not duplicate...
1997-03-20 Aritomo ShinozakiSome changes for comments. Copyright date additions.
1997-03-19 Aritomo ShinozakiAdd Broadcast mechanism.
1997-03-16 Jim PhillipsAdded virial calculation for all bonded forces.
1997-03-11 Jim PhillipsEliminated use of LintList for by-atom lists.
1997-03-10 Aritomo ShinozakiUniqueSet changes - some more commenting and cleanup
1997-02-06 Aritomo ShinozakiUpdating Revision Line, getting rid of branches
1997-01-16 Jim PhillipsAdded reduction of energies from ComputeHomeTuples...
1996-12-03 Neal KrawetzRemoved tons-o-debugging.
1996-12-03 Neal KrawetzInitial revision