Add bitmask type
[alexxy/gromacs.git] / src /
2014-11-12 Roland SchulzAdd bitmask type
2014-11-05 Roland SchulzMinor update of boost README
2014-10-30 Teemu MurtolaAdd more selection unit tests
2014-10-30 Teemu MurtolaFix more memory leaks in default group creation
2014-10-30 Teemu MurtolaFix memory leak in default index group creation
2014-10-30 Roland SchulzMerge "Merge release-5-0 into master"
2014-10-29 Teemu MurtolaMerge release-5-0 into master
2014-10-29 Teemu MurtolaImprove analysis nbsearch grid mapping
2014-10-28 Teemu MurtolaAvoid common.h inclusion in CUDA code
2014-10-26 Roland SchulzAdd Windows support for host-/username
2014-10-23 Teemu MurtolaMove truncate() wrapper to futil.h
2014-10-23 Teemu MurtolaEncapsulate use of nice()
2014-10-22 Teemu MurtolaCollect more platform-specific code to sysinfo.h
2014-10-22 Teemu MurtolaRename common.h to classhelpers.h
2014-10-22 Teemu MurtolaMove basic macros from common.h to basedefinitions.h
2014-10-22 Roland SchulzRemove Catamount cmake
2014-10-21 Roland SchulzFix C++11 flags for MingW
2014-10-20 Roland SchulzCreate scoped_cptr to replace scoped_ptr_sfree
2014-10-20 Roland SchulzUsed IWYU to partially clean up some includes
2014-10-20 Berk HessRemoved f_novirsum reduction in Verlet scheme
2014-10-20 Carsten KutznerFix order of ED/swap blocks during checkpoint reading.
2014-10-17 Mark AbrahamExtend gmock to turn off socket listener
2014-10-17 Mark AbrahamMove code to what will become the ewald module
2014-10-15 Mark AbrahamConverted many integrator-loop files to C++
2014-10-14 David van der SpoelReorganizing analysis of correlation functions.
2014-10-14 Teemu MurtolaUse analysis nbsearch in insert-molecules
2014-10-13 Mark AbrahamMerge release-4-6 into release-5-0
2014-10-12 Roland SchulzFix misidentification of dot in path name
2014-10-11 Teemu MurtolaClean up gmx insert-molecules
2014-10-11 Teemu MurtolaMake 'gmx insert-molecules' tests test output
2014-10-11 Teemu MurtolaGeneralize command-line unit testing machinery
2014-10-09 Mark AbrahamFixed minor issue with NPT conserved energy
2014-10-09 Mark AbrahamClean up cshake() and resolve old issues
2014-10-07 Berk HessFixes issue with vsiten and Verlet buffers
2014-10-06 Mark AbrahamFix trjconv -split not closing files
2014-10-05 Roland SchulzAllow runAsMainSingleModule to be called more than...
2014-10-03 Mark AbrahamMove pair-interaction code into listed-forces module
2014-10-03 Teemu MurtolaMore robust handling for installed headers
2014-10-03 Mark AbrahamUnite code for handling listed pairs
2014-10-01 Mark AbrahamMerge release-5-0 into master
2014-10-01 Carsten KutznerAllow gmx tune_pme to skip the check for command-line...
2014-09-30 Erik LindahlAdd Power8 VSX SIMD support
2014-09-30 Szilard PallFix incorrect LJ cut-off with GPU + PME tuning
2014-09-30 Berk HessAvoid DLB with overloaded PME ranks
2014-09-30 Berk HessAdded GPU local wait to load balancing
2014-09-30 Erik LindahlAvoid using function calls in OpenMP directives
2014-09-29 Berk HessDomain decomposition now checks the rlist buffer
2014-09-29 Berk HessSIMD acceleration for RB dihedrals
2014-09-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0
2014-09-29 Berk HessAvoid PME tuning decreasing rcoulomb
2014-09-29 Roland SchulzMerge release-4-6 into release-5-0
2014-09-29 Berk HessFix calc_grid avoiding PME grid factor 84
2014-09-26 Rossen ApostolovConverted swap module to C++.
2014-09-26 Szilárd PállFix incorrect assertion statement
2014-09-23 Mark AbrahamRenamed bonded module as 'listed-forces'
2014-09-23 Mark AbrahamRefactor mdrun integration tests
2014-09-23 Roland SchulzFix ICC warnings
2014-09-23 David van der SpoelFixes potential bug in neighborsearching.
2014-09-23 Teemu MurtolaReorganize CPack management
2014-09-23 Teemu MurtolaGenerate man pages and completions by default if possible
2014-09-22 Teemu MurtolaMerge "Merge release-5-0 into master"
2014-09-22 Roland SchulzFix message about incorrect usage of dihedral type 9
2014-09-21 Roland SchulzMerge release-5-0 into master
2014-09-21 Teemu MurtolaSkip man/html/completion generation if not needed
2014-09-20 Teemu MurtolaFix patterns for .gitattributes
2014-09-20 Roland SchulzMinor performance improments
2014-09-19 Teemu MurtolaProper dependencies for Doxygen build rules
2014-09-19 Teemu MurtolaFix histogram resampling output bin positions
2014-09-19 Teemu MurtolaAdd support for cumulative histograms
2014-09-19 Teemu MurtolaMore precise analysisdata histogram accumulation
2014-09-18 Erik LindahlAdd Power/PowerPC VMX SIMD support
2014-09-18 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-09-18 Roland SchulzFix double linkage for tests
2014-09-17 Roland SchulzFix shared libs for Mingw
2014-09-17 Roland SchulzMerge release-5-0 into master
2014-09-17 David van der SpoelMerge release-5-0 into master
2014-09-16 Roland SchulzFix warnings for ICC 15
2014-09-13 Teemu MurtolaExtend support for float/double tolerances in testing
2014-09-13 Teemu MurtolaDeclare __STDC_*_MACROS in gmxpre.h
2014-09-12 Mark AbrahamMinor changes to mdrun -h descriptions
2014-09-11 Roland SchulzFix sorting and doxygen
2014-09-11 Teemu MurtolaImprove uncrustify.sh return code handling
2014-09-11 Teemu MurtolaAdd gmx_getpid()
2014-09-11 Mark AbrahamConvert domdec code to C++
2014-09-11 Teemu MurtolaMove _GNU_SOURCE to gmxpre.h
2014-09-11 Teemu MurtolaSort includes outside src/gromacs
2014-09-11 Teemu MurtolaSort all includes in src/gromacs
2014-09-11 Teemu MurtolaUse absolute include paths in nbnxn kernels
2014-09-11 Teemu MurtolaManually sort some includes in src/gromacs
2014-09-11 Erik LindahlEnable static anon namespace workaround on pathscale
2014-09-10 Erik LindahlImprove performance of MIC exponential
2014-09-10 David van der SpoelRemove .tpa, .tpb, .tpx, .trj files. Part of #1500.
2014-09-10 Justin LemkulAdded flat-bottom cylindrical restraints in x and y.
2014-09-10 Roland SchulzMerge release-5-0 into master
2014-09-09 Szilárd PállFix malformed CUDA version macro check
2014-09-09 Berk HessFixed DD state collection issue
2014-09-09 Rossen ApostolovConverted groupcoord to C++.
2014-09-09 Rossen ApostolovConverted fft files to C++.
2014-09-08 Erik LindahlAdd 64-bit AArch64 asimd SIMD support
2014-09-08 Erik LindahlAdd 32-bit ARM Neon SIMD support
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