namd.git
2012-03-19 Chris Harrisonfixing even more PEBCK errors...renaming recvBGrid... release-2-9-beta-1
2012-03-19 Chris Harrisonfixing more PBECK errors for fixing msa/msa.h include
2012-03-19 Chris Harrisonrestoring #include msa/msa.h b/c of PBECK and removing...
2012-03-19 Chris Harrisonremoving include of MoaMacros.h
2012-03-19 Chris Harrisonfixing typo on recvB entry method
2012-03-19 Chris Harrisonadding MSA_PAGE_SIZE def
2012-03-19 Jim PhillipsShould build without MSA now.
2012-03-19 Jim PhillipsFix MOA build.
2012-03-19 Chris Harrisonpushing in Moa files v0
2012-03-19 Jim PhillipsAdd J. Lai and D. Wells to authors.
2012-03-19 Jim PhillipsUpdate for new replica exchange implementation.
2012-03-19 Jim PhillipsUpdate CUDA docs.
2012-03-17 Jim PhillipsProper fix to keep Go forces from breaking alchemical...
2012-03-17 Jim PhillipsDon't break other features when Go is off.
2012-03-16 Jim PhillipsMove release date back.
2012-03-16 Jim PhillipsRemove -ftz=true option that was causing instability.
2012-03-16 David WellsFixed bug in Gridforce wrapping code
2012-03-15 Jim PhillipsGenerating ptx code doesn't work with multiple device...
2012-03-15 Jim PhillipsGenerate code for both 1.1 and 2.0 devices.
2012-03-15 Jim PhillipsFix bug causing "PmePencilMap multiple pencils on a...
2012-03-15 Jim PhillipsAdd CUDA error checking in progress polling functions.
2012-03-14 Jim PhillipsFix bug for multicore with one patch per pe.
2012-03-14 Jim PhillipsRemove bogus "REDUCING NUMBER OF PATCHES" message.
2012-03-14 Jim PhillipsTurn dual streams back on with timeout adding to pollin...
2012-03-14 David Tanneradding Amber structure support to LCPO
2012-03-13 Jim PhillipsUpdate docs/notes/announcement and bump version to...
2012-03-13 Jim PhillipsUpdate dependencies.
2012-03-13 Jim PhillipsDisable multiple streams because of unexplained hangs.
2012-03-13 Jim PhillipsCheck if local work is done immediately after processin...
2012-03-12 Jim PhillipsDisable event timers, fix GBIS timing, clean up timing...
2012-03-11 Jim PhillipsAdd staticAtomAssignment parameter, which places equal...
2012-03-11 Jim PhillipsMove all box opening to noWork to simplify code and...
2012-03-11 Jim PhillipsSplit remote and local work into separate streams to...
2012-03-09 Jim PhillipsUncomment tabulated energies since implementation is...
2012-03-09 Jim PhillipsFix and simplify tabulated energies.
2012-03-08 Jim PhillipsFix build with stub files includes.
2012-03-08 Chris HarrisonBeginning initial integration of NAMD-OPENATOM QM/MM...
2012-03-08 Chris HarrisonBeginning initial integration of NAMD-OPENATOM QM/MM...
2012-03-08 Jim PhillipsComment out tabulated energies until implementation...
2012-03-07 Jim PhillipsEliminate extra copy of CUDA atom data.
2012-03-07 Jim PhillipsMove formatting of position data for GPU to HomePatch...
2012-03-06 Jim PhillipsPatch from Phil Miller for g++ 3.3 on ancient PPC Mac...
2012-03-06 Jim PhillipsMultiple CUDA devices use home patches rather than...
2012-03-05 Jim PhillipsreplicaRecv source required to avoid race condition...
2012-03-03 Jim PhillipsChange < and > to $<$ and $>$.
2012-03-03 Jim Phillipsremove extra \item tag.
2012-03-03 Jim PhillipsDocument Go forces module.
2012-03-03 Jim PhillipsAdd braces around arguments to limit font changes.
2012-03-02 Jim PhillipsMerge from VMD plugin tree. Handle long type names...
2012-03-02 Jim PhillipsPull changes from VMD plugin tree. Tests _MSC_VER...
2012-03-02 Jim PhillipsInclude Charm++ patch to enable replica exchange in...
2012-03-02 Jim PhillipsSwitch from storing a ComputeID and looking up the...
2012-03-01 Jim PhillipsUpdate to charm-6.4.0.
2012-03-01 Jim PhillipsMake multicore default charm arch.
2012-02-29 Jim PhillipsFix Windows by using _ftelli64() instead of ftello...
2012-02-29 Jim PhillipsFix position_distance sign error to be consistent with...
2012-02-29 Jim PhillipsFix printf format.
2012-02-29 Jim PhillipsAdd internal consistency check for replica_neighbors...
2012-02-29 Jim PhillipsTweak documentation.
2012-02-29 Jim PhillipsSkip first entry in colvars.traj file since it just...
2012-02-29 Jim PhillipsAdd final_step argument to trim trajectory back to...
2012-02-29 Jim PhillipsRename colvars state file to save as part of restart...
2012-02-29 Jim PhillipsWrite colvars trajectory more often to test sortreplicas.
2012-02-29 Jim PhillipsMove Langevin params other than langevinTemperature...
2012-02-29 Jim PhillipsFilter out repeated timesteps in colvar trajectory...
2012-02-29 Jim PhillipsProcess colvar trajectory files if they are present.
2012-02-28 Jim PhillipsExpand to 64 replicas.
2012-02-28 Jim PhillipsAdd script for creating multiple output directories.
2012-02-28 Jim PhillipsImplement umbrella sampling using colvars in arbitrary...
2012-02-28 Jim PhillipsMove "source ../replica.namd" from command line to...
2012-02-28 Jim PhillipsMove "source ../replica.namd" from command line to...
2012-02-27 Chao MeiFixed the bug in creating spanning tree for home patche...
2012-02-27 David Tannercorrect LCPO pairlist update frequency
2012-02-27 Jim PhillipsAdd colvarbias Tcl command with changeconfig and energy...
2012-02-25 Jim PhillipsSwitch recursive bisection fallback from lowest-load...
2012-02-24 Jim PhillipsOnly allocate as much memory as needed for X pencil...
2012-02-24 Jim PhillipsDo not use GlobalMasterServer for IDM if IMDignore...
2012-02-24 Jim PhillipsReduce number of "Ignoring IMD forces due to IMDignore...
2012-02-24 Jim PhillipsDon't die (but still warn) about low exclusion count...
2012-02-23 David TannerLCPO improved initial parameters
2012-02-23 David Tanneradding documentation for LCPO
2012-02-23 David Tannermade LCPO a little faster and more robust
2012-02-23 Jim PhillipsAdd -ugni arch suffix.
2012-02-23 Jim PhillipsTurn off "Num fixedAtom lookup" messages.
2012-02-22 Jim PhillipsFix uninitialized go energies when go not active.
2012-02-22 Jim PhillipsEliminate variable-size array.
2012-02-22 Jim PhillipsMore information on bad exclusion count errors.
2012-02-22 Chao MeiAdded note for PmePencil atomic blocks so that it is...
2012-02-21 Chao MeiDisable the debugging output for proxy lists of patches
2012-02-21 Jim PhillipsRebuild dependencies.
2012-02-21 Jim PhillipsAdd additional information to bad global atom count...
2012-02-21 Jim PhillipsFix implementation of clear() plus other minor cleanups.
2012-02-21 Jim PhillipsAdd internal consistency check for combined migration...
2012-02-21 Jim PhillipsAdd internal consistency check.
2012-02-21 David Tannerset num LCPO patches to 8 instead of non c++ expression
2012-02-21 Chao MeiFixed compilation errors regarding function assignLCPOT...
2012-02-21 David Tannerlinear combination of pairwise overlaps (LCPO) for...
2012-02-20 Jim PhillipsFix bug where if all home patches on a node start out...
2012-02-19 Jim PhillipsAvoid dynamically adjusting pairlist distance if patch...
2012-02-19 Jim PhillipsEliminate order-numPes loop to find messages in migrati...
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