alexxy/gromacs.git
2017-01-11 Roland SchulzTidy: modernize-use-nullptr
2017-01-10 Roland SchulzFix AVX512 issues in debug mode
2017-01-06 Mark AbrahamDocument ISerializer class
2017-01-05 Roland SchulzFix copyright year of previous commit
2017-01-05 Roland SchulzFix unitialized memory access
2017-01-04 Mark AbrahamFix documentation of OptionsVisitor
2016-12-22 Aleksei IupinovRemove unused member thread_one from the PME spline...
2016-12-20 Gerrit Code... Merge "Merge branch release-2016"
2016-12-20 Mark AbrahamSanitize some include headers
2016-12-20 Mark AbrahamMerge branch release-2016
2016-12-15 M. Eric IrrgangFix syntax in cmake status message
2016-12-15 Roland SchulzAdd create_unique_with_deleter
2016-12-15 Roland SchulzReplace scoped_cptr with unique_cptr
2016-12-15 Vedran MiletićImprove include sorter error reporting
2016-12-15 Mark AbrahamRemoved support for multiple entries in mdp files
2016-12-15 Mark AbrahamHandle warninp correctly in xpm2ps and membed
2016-12-14 Mark AbrahamFix misleading parallelization docs for gmx wham
2016-12-14 Berk HessAdd bonded #thread runtime check
2016-12-12 Teemu MurtolaMerge branch release-2016
2016-12-10 Teemu MurtolaMinor CMake cleanup & modernization
2016-12-10 Teemu MurtolaBuild scripts for improved release workflow
2016-12-09 Mark AbrahamFix logic of TRR reading
2016-12-09 Mark AbrahamRemove nxframe from t_trxstatus
2016-12-09 Szilárd PállTurn off hwloc support when static lib found
2016-12-08 Teemu MurtolaFix and clean up handling of some linking
2016-12-08 Berk HessMade mdrun -pforce terminate with non-finite forces
2016-12-08 Teemu MurtolaFix possible memory error with long selections
2016-12-08 Mark AbrahamConsolidate files supporting TNG file I/O
2016-12-07 Mark AbrahamMerge branch release-2016
2016-12-07 David van der... Couple of new quotes
2016-12-07 Teemu MurtolaFix use of position variables with plus/merge
2016-12-07 Mark AbrahamFix memory handling in gmx dump of TNG files
2016-12-05 Aleksei IupinovStop including parallel_3dfft.h in headers
2016-12-05 Mark AbrahamRemove undue narrowing of integer in TNG reading
2016-12-01 Mark AbrahamAdd INSTALL-dev to aid people doing unusual builds
2016-12-01 Aleksei IupinovMove GPU assignment functions into a separate file
2016-12-01 Mark AbrahamFix minor trjconv bug
2016-11-29 Teemu MurtolaAdditional selection help
2016-11-24 Berk HessChange spline moduli calculation to double
2016-11-23 Berk HessConvert energyhistory_t to use std::vector
2016-11-23 Berk HessUse templating in checkpoint.cpp
2016-11-23 Mark AbrahamStop including tng_io_fwd.h
2016-11-21 Aleksei IupinovMove hardcoded PME grid indexing constants into header
2016-11-18 David van der... Added first tests of bonded force functions.
2016-11-16 Mark AbrahamEnhanced ArrayRef
2016-11-16 Mark AbrahamCreated paddedvector.h
2016-11-16 Mark AbrahamRemove unimplemented gmx trjcat -vel
2016-11-15 Carsten KutznerFixed typo in membed.cpp
2016-11-10 Christoph Junghanscmake: fix build with GMX_EXTERNAL_TNG=ON
2016-11-08 Dan HorákFix x86 conditional
2016-11-06 Teemu MurtolaAdd selection-enabled gmx traj
2016-11-03 Roland SchulzSupress ICC 16 on Windows false postives
2016-11-01 Aleksei IupinovRemove imatrix type and related unused/erroneous code
2016-11-01 Szilárd PállMerge "Merge branch release-2016"
2016-11-01 Berk HessFix time label print in gmx vanhove
2016-10-31 Mark AbrahamMerge branch release-2016
2016-10-31 Mark AbrahamMerge branch release-2016
2016-10-30 Teemu MurtolaSupport normalizing values in KeyValueTree
2016-10-30 Roland SchulzReplace qsort/bsearch with std::sort/lower_bound
2016-10-29 Berk HessAdd gmx dump option for printing parameters
2016-10-28 Mark AbrahamBumped version to prepare for next patch release
2016-10-28 Mark AbrahamVersion 2016.1
2016-10-28 Berk HessDLB can now turn off, when slower
2016-10-28 Szilárd PállGPU-related additions to the install/user guide
2016-10-28 Berk HessFix DLB timing with CUDA and OpenCL
2016-10-27 Szilárd PállMake -cl-fast-relaxed-math default
2016-10-26 Szilárd PállAdd GMX_DISABLE_GPU_TIMING env var
2016-10-24 Teemu MurtolaElectric field mdp parsing using options
2016-10-24 Teemu MurtolaSupport for default values from Options to KeyValueTree
2016-10-24 Aleksei IupinovTreat CUDA files as C++ during cppcheck
2016-10-21 Mark AbrahamUpdate install guide
2016-10-21 Teemu MurtolaClean up option (default) value access
2016-10-21 Roland SchulzSuppress cppcheck warning
2016-10-21 Mark AbrahamUpdate cppcheck support to 1.76.1
2016-10-19 Teemu MurtolaSerialization support for KeyValueTree
2016-10-19 Mark AbrahamUpgrade coverage matrix.
2016-10-18 Mark AbrahamFix SIMD suggestion for VMX
2016-10-17 Erik LindahlNew classes for spline interpolation tables
2016-10-17 Teemu MurtolaSupport option assignment from different precision
2016-10-17 Teemu MurtolaAdd support for reading values from refdata
2016-10-16 Teemu MurtolaImproved error handling for KeyValueTree operations
2016-10-15 Berk HessMove energyhistory_t out of t_state
2016-10-15 Teemu MurtolaImproved address sanitizer support
2016-10-15 Teemu MurtolaWork around memory leak in t_state
2016-10-15 Teemu MurtolaFix most memory leaks recently introduced
2016-10-14 Berk HessApply Berendsen P-couple at nstpcouple steps
2016-10-14 David van der... Fixes some memory leaks associated with testing applied...
2016-10-14 Teemu MurtolaUse gmx_mtop_t in selections, part 3
2016-10-14 Teemu MurtolaUse gmx_mtop_t in selections, part 2
2016-10-13 Teemu MurtolaUse gmx_mtop_t in selections, part 2
2016-10-13 Berk HessExtend mtop_lookup.h
2016-10-13 Teemu MurtolaAdd back-mapping to KeyValueTreeTransform
2016-10-13 Teemu MurtolaUpdate bundled TNG
2016-10-13 Teemu MurtolaGetter for mapped paths from KeyValueTreeTransform
2016-10-12 James W. BarnettSet maxwarn to INT_MAX if GMX_MAXCONSTRWARN < 0
2016-10-12 Teemu MurtolaUse gmx_mtop_t in selections, part 1
2016-10-12 Teemu MurtolaWrap sel. method evaluation parameters to struct
2016-10-12 Mark AbrahamMake regressiontests updater build work for master...
2016-10-12 Berk HessFixed exception in usused result
2016-10-12 Berk HessFixed print bug in gmx wham
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