alexxy/gromacs.git
2017-02-08 Mark AbrahamExtend serialization to gmx_int64_t
2017-02-08 Teemu MurtolaGeneric KeyValueTree broadcast
2017-02-08 Teemu MurtolaGeneric gmx check implementation with KeyValueTree
2017-02-08 Teemu MurtolaGeneric gmx dump implementation for KeyValueTree
2017-02-08 Roland SchulzAVX512: Use double-sized gather for pairs of floats
2017-02-08 Gerrit Code... Merge "Merge branch release-2016"
2017-02-08 Teemu MurtolaGeneric tpr handling for electric field
2017-02-08 Mark AbrahamCreate applied-forces module group
2017-02-08 Aleksei IupinovPME force gathering tests
2017-02-08 Aleksei IupinovFix invalid triclinic box in the PME test data
2017-02-08 Mark AbrahamGive MDModules responsibility for option handling
2017-02-07 Mark AbrahamMerge branch release-2016
2017-02-07 Mark AbrahamBumped version to prepare for next patch release
2017-02-07 Mark AbrahamIntroduced system preparation section to user guide
2017-02-07 Mark AbrahamVersion 2016.2
2017-02-07 Berk HessAdd mdp option check with decoupled modes
2017-02-05 Mark AbrahamMerge branch release-5-1 into release-2016
2017-02-03 David van der... Fixes SEGV in gmx order.
2017-02-03 Mark AbrahamRemove typedef struct in some mdtypes files
2017-02-02 Mark AbrahamClarify use of tau-p and pcoupltype
2017-02-02 Berk HessReally fix array of complex in cross_corr
2017-02-02 Berk HessFix array of complex in cross_corr
2017-02-02 David van der... Only print all dangling atoms with grompp -v
2017-01-31 Mark AbrahamMerge branch release-5-1 into release-2016
2017-01-30 Mark AbrahamFix multi-domain reruns
2017-01-30 Mark AbrahamDon't print invalid performance data
2017-01-24 Aleksei IupinovPME spline computation and charge spreading tests
2017-01-24 Szilárd PállRemove unused argument in GPU kernels
2017-01-24 Aleksei IupinovAdd const qualifier to some PME spread arguments
2017-01-23 Mark AbrahamStopped header files including state.h
2017-01-23 David van der... Added reference for dihedral function in OPLS.
2017-01-22 Mark AbrahamFixed gmx rmsf -q -oq.
2017-01-21 Mark AbrahamRemoved init_state
2017-01-20 Mark AbrahamInitialize GMX_*_LIBRARIES cmake variables earlier
2017-01-20 Berk HessDisallow overwriting of dihedral type 9
2017-01-20 Roland SchulzFix missing break in switch
2017-01-20 Berk HessOnly predict shells with velocities
2017-01-19 Aleksei IupinovSimplify gmx_count_gpu_dev_unique()
2017-01-19 Aleksei IupinovPME B-Spline moduli computation unit test
2017-01-19 Berk HessFix PME order and grid size checks
2017-01-18 Roland SchulzAdd AlignedArray
2017-01-17 Berk HessCorrect assert on pme-order
2017-01-14 Mark AbrahamMerge branch release-2016
2017-01-13 Roland SchulzEnable uncrustify for template
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 SchulzSupress ICC 16 on Windows false postives
2017-01-05 Roland SchulzFix copyright year of previous commit
2017-01-05 Berk HessFix flat-bottom position restraints + DD + OpenMP
2017-01-05 Aleksei IupinovFix compilation with CMAKE_CXX_FLAGS="-Wall -Werror"
2017-01-05 Roland SchulzFix unitialized memory access
2017-01-05 Gerrit Code... Merge "Merge branch release-5-1 into release-2016"...
2017-01-04 Mark AbrahamStop trying to use objdump --reloc on Mac
2017-01-04 Mark AbrahamFix documentation of OptionsVisitor
2017-01-03 Mark AbrahamMerge branch release-5-1 into release-2016
2016-12-22 Aleksei IupinovRemove unused member thread_one from the PME spline...
2016-12-20 Mark AbrahamCorrected documentation about eigenvalue handling
2016-12-20 Gerrit Code... Merge "Merge branch release-2016"
2016-12-20 Mark AbrahamImprove build system for plugin support
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 Vedran MiletićMake editconf B-factor attachment more useful in practice
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.
2016-11-17 Szilárd PállCorrect kernel launch bounds for CUDA sm_60
2016-11-16 Mark AbrahamEnhanced ArrayRef
2016-11-16 Mark AbrahamCreated paddedvector.h
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