namd.git
2018-05-15 Giacomo FiorinUpdate Colvars to version 2018-05-15 75/4175/2
2018-05-14 radakbUpdate/fix incomplete behavior of nonbondedScaling 72/4172/1
2018-05-11 Jim PhillipsFix config file parameter introspection bug 68/4168/1
2018-05-08 Jim PhillipsAvoid placing extra PME load on first node 47/4147/1
2018-05-07 radakbBug-fix for cphrst writing with Constant-pH MD 40/4140/2
2018-05-04 Jim PhillipsRequire NAMDJSBLOCKIO environment variable for js block IO 30/4130/2
2018-05-04 DavidUpdate molfile plugin from John 29/4129/1
2018-05-03 DavidFix minor bug with REST2 parameters 11/4111/1
2018-05-02 Giacomo FiorinUpdate Colvars to version 2018-04-29 98/4098/1
2018-05-02 Wei JiangREST2 sample 93/3593/6
2018-05-02 Wei JiangREST2 implementation in NAMD 88/3588/10
2018-04-27 radakbDocumentation for stochastic velocity rescaling 78/4078/3
2018-04-27 Jim PhillipsDrop Tcl USE_COMPAT_CONST and use const char* 71/4071/1
2018-04-26 Ronak BuchRemove deprecated calls to cufftSetCompatibilityMode 69/4069/1
2018-04-25 DavidRemove unused code 57/4057/2
2018-04-24 radakbFinalize stochastic velocity rescaling implementation 49/4049/4
2018-04-21 Jim PhillipsFix passing string literal to non-const 42/4042/1
2018-04-20 David HardyAdd Doxygen comments 38/4038/1
2018-04-20 radakbImplementation of a stochastic velocity rescaling therm... 35/4035/6
2018-04-16 radakbCleanup JSON IO for constant-pH MD 04/4004/2
2018-04-11 Giacomo FiorinUpdate Colvars to version 2018-04-11 79/3979/1
2018-03-29 radakbConstant-pH - more config and restart format updates 20/3920/1
2018-03-26 radakbFix ordering error when updating parameters for Constan... 03/3903/1
2018-03-23 radakbMinor updates and fixes for constant-pH MD 93/3893/3
2018-03-20 Jim PhillipsRebuild Make.depends 80/3880/1
2018-03-18 Jim PhillipsControl CUDA runtime thread affinity 76/3876/1
2018-03-14 Giacomo FiorinUpdate Colvars to version 2018-03-14 49/3849/1
2018-03-12 Jim PhillipsFix Lowe-Andersen thermostat on KNL 38/3838/1
2018-03-08 radakbUser guide updates for constant-pH MD 23/3823/2
2018-03-08 radakbFix bug when aliasing titratable residue names with... 22/3822/2
2018-03-07 Giacomo FiorinComment on the effects of wrapAll and wrapWater in... 18/3818/1
2018-03-02 radakbConstant-pH MD: Revisions and new functionality 94/3794/3
2018-02-24 Giacomo FiorinUpdate Colvars to version 2018-02-24 69/3769/1
2018-02-23 radakbUpdates and fixes to constant pH 68/3768/1
2018-02-21 Jim PhillipsClean up Projections tracing for CUDA offload 53/3753/1
2018-02-20 Jim PhillipsFix message priorities for CUDA offload 50/3750/1
2018-02-19 Jim PhillipsChange multicore-linux64 to multicore-linux-x86_64 43/3743/2
2018-02-19 Jim PhillipsTranslate config script from csh to bash 38/3738/2
2018-02-19 radakbFix lurking bugs for alchLambda/alchLambda2 24/3724/7
2018-02-19 Jérôme HéninUpdates to abf_integrate 39/3739/1
2018-02-13 Jim PhillipsInclude PCI bus address in all CUDA error messages 16/3716/1
2018-02-06 Jim PhillipsImprove CUDA device selection error checking 34/3634/1
2018-01-29 radakbFix alchemical coupling + LJcorrection 85/3585/2
2018-01-26 Jim PhillipsFix CUDA with multiple processes per host 74/3574/2
2018-01-26 radakbExpanded alchemical functionality: Drude and CMAP 69/3569/2
2018-01-25 Jim PhillipsRebuild dependencies 72/3572/1
2018-01-25 radakbImprove PME performance when toggling alch/LES/PairInte... 61/3561/6
2018-01-24 radakbFix PNG for constant pH execution flowchart 68/3568/1
2018-01-23 DavidUpdate arch files for Linux POWER CUDA 56/3556/2
2018-01-23 Jim PhillipsRemove commented code now in DeviceCUDA.C 59/3559/1
2018-01-23 DavidUpdate Charm++ to 6.8.2 55/3555/2
2018-01-23 Jim PhillipsFix User's Guide build 48/3548/2
2018-01-23 Jim PhillipsFix config script for CUDA builds 49/3549/1
2018-01-19 radakbFix/update constant pH MD user guide 39/3539/1
2018-01-18 Jim PhillipsFix "alch off" in scripts failing to disable alchemy... 33/3533/1
2018-01-11 Jim PhillipsFix Windows link error 04/3504/1
2017-12-22 melomcrUpdated selection of point charges and fix bug in PME... 64/3464/4
2017-12-20 Jim PhillipsFix integer overflows for exclusion counts 56/3456/1
2017-12-20 Jim PhillipsFix PME placement bug for grids with 2^31 or more points 55/3455/1
2017-12-20 Jim PhillipsUse streaming message to distribute ComputeMap 54/3454/1
2017-12-19 DavidUpdate config and arch for CUDA on Linux POWER 51/3451/1
2017-12-15 Phil MillerFix const correctness warnings about some string literals 32/3432/1
2017-11-28 DavidFixed bug with DEBUG_PRESSURE 32/3332/1
2017-11-28 DavidRevert "Find upper bound available for integration... 31/3331/1
2017-11-28 David HardyFixed DCD file writer for billion atom systems 06/3306/4
2017-11-22 David HardyAdded comments to ResizeArrayRaw.h 25/3325/1
2017-11-21 David HardyFind upper bound available for integration speedup 15/3315/4
2017-11-16 David HardyComments for SOA, array interface to Random 10/3310/1
2017-11-14 David HardyAdded comments outlining AOS to SOA copying 08/3308/1
2017-11-11 David HardyFixed lone pair patch for memopt version 03/3303/1
2017-11-09 David HardyAutomatic detection of lonepairs 29/3129/5
2017-11-05 Jim PhillipsSmall fixes for billion-atom systems. 43/3243/1
2017-11-04 Brian RadakEnable proton transfer moves 34/3134/3
2017-11-04 DavidProfiling CUDA 9 with NVTX 93/3193/3
2017-11-04 Jim PhillipsFix overflows when compressing huge systems. 28/3228/4
2017-11-03 Phil MillerImprove const safety to conform with upcoming rvalue... 31/3231/2
2017-10-25 DavidFixed "make depends" 54/3154/1
2017-10-20 Jim PhillipsUpdate to Charm++ 6.8.1 43/3143/1
2017-10-20 Jim PhillipsFix integer overflow yielding 2x2x2 patch grid for... 42/3142/1
2017-10-17 Giacomo FiorinSpecify more clearly list of build prerequisites 36/3136/1
2017-10-17 Giacomo FiorinAllow autodetection of Python at compile time. 35/3135/1
2017-10-06 DavidCollapsed routines for HomePatch integration loops 12/3112/1
2017-10-05 DavidFixed some bugs introduced by POWER commit 10/3110/1
2017-10-03 DavidPerformance improvements for POWER 94/3094/1
2017-10-02 DavidFix for old PME GPU kernel on multi-GPU machines 71/3071/2
2017-09-28 Noah TrebeschBug Fix for NAMD Non-Uniform Grids 82/3082/1
2017-09-20 DavidBug fix for PME kernel in CUDA 9 68/3068/2
2017-09-19 Giacomo FiorinRefer to position restraints as "position restraints... 35/3035/1
2017-09-18 Giacomo FiorinUpdate Colvars to version 2017-09-18 (TI base class... 32/3032/1
2017-09-14 Giacomo FiorinUpdate Colvars to version 2017-09-14 (UI-based ABF... 29/3029/1
2017-09-13 Jim PhillipsAdd cooperative groups to warp-synchronous PME offload... 22/3022/1
2017-09-12 Jim PhillipsAppend -ofi to NAMD platform when using Charm++ OFI... 20/3020/1
2017-09-11 DavidFinished updates for CUDA cooperative group macros. 16/3016/1
2017-09-11 DavidCleaned up CUDA cooperative group macro use. 15/3015/1
2017-09-11 DavidAdded CUDA architecture files. 14/3014/1
2017-09-11 DavidCUDA 9 compatibility 13/3013/1
2017-09-11 DavidAdded macros for CUDA 9 12/3012/1
2017-09-11 DavidUpdated CUB to version 1.7.3 11/3011/1
2017-09-11 DavidMinor fix in macro 10/3010/1
2017-09-11 radakbDocumentation for constant-pH MD 06/3006/1
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