alexxy/gromacs.git
2013-01-11 Erik LindahlMerge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...
2013-01-11 David van der... Fixes #994 confusion in atomprop.
2013-01-11 Roland SchulzMerge "Handle compiler flags more flexibly" into releas...
2013-01-11 Christoph JunghansMerge "Remove incorrect assert added by 05f9a740" into...
2013-01-10 Berk Hessfixed nbnxn no LJ comb.rule AVX256 PME kernel
2013-01-10 Erik LindahlFixed flop-accounting for periodic improper dihedrals
2013-01-10 Mark AbrahamMerge "Revert default rlist/rvdw/rcoulomb to valid...
2013-01-10 Mark AbrahamMerge "fixed bug with Verlet + DD + bonded atom communi...
2013-01-10 Roland SchulzRemove incorrect assert added by 05f9a740
2013-01-10 Roland SchulzHandle compiler flags more flexibly
2013-01-10 Erik LindahlDisallow the use of Clang to compile AVX_128_FMA
2013-01-10 Roland SchulzMerge "Move Windows shared/static options to later...
2013-01-10 Roland SchulzMerge "Remove workaround" into release-4-6
2013-01-10 Berk Hessfixed bug with Verlet + DD + bonded atom communication
2013-01-10 Roland SchulzMove Windows shared/static options to later point
2013-01-10 Roland SchulzRemove workaround
2013-01-10 Erik LindahlRemove broken g_dih tool
2013-01-10 Mark AbrahamMerge "Fixes SSE/AVX compilation under Windows" into...
2013-01-10 Erik LindahlRevert default rlist/rvdw/rcoulomb to valid values...
2013-01-10 Erik LindahlFixes SSE/AVX compilation under Windows
2013-01-09 Erik LindahlMerge "Corrected gmxcheck output for Gromos96 bonds...
2013-01-09 Justin LemkulCorrected gmxcheck output for Gromos96 bonds.
2013-01-09 Roland SchulzMerge "Added work-around for gcc bug in AVX intrinsincs...
2013-01-09 Roland SchulzMerge "Add check to remove zero Charmm dihedrals" into...
2013-01-09 Roland SchulzMerge "[tools] g_sans - add trajectory avereging" into...
2013-01-09 Erik LindahlAdded work-around for gcc bug in AVX intrinsincs formal...
2013-01-08 Erik LindahlAdd check to remove zero Charmm dihedrals
2013-01-08 Erik LindahlDo not always add -msse2 to release flags for icc
2013-01-08 Roland SchulzMerge "Reduce use of monolithic sets of compiler flags...
2013-01-07 Roland SchulzMerge "fixed nbnxn AVX-256 Ewald table pointer alignmen...
2013-01-07 Mark AbrahamReduce use of monolithic sets of compiler flags
2013-01-07 Roland SchulzMerge "cmake: remove double-negative quotes logic"...
2013-01-07 Berk Hessfixed nbnxn AVX-256 Ewald table pointer alignment
2013-01-07 Roland SchulzMerge "Ignore bool cast warning for MSVC and C++" into...
2013-01-07 David van der... Merge "Removed reference to nonexistent file in g_helix...
2013-01-07 Christoph Junghanscmake: remove double-negative quotes logic
2013-01-07 Roland SchulzMerge "improved reporting of failed affinity setting...
2013-01-07 Roland SchulzMerge "Fixed format error in online manual." into relea...
2013-01-07 Roland SchulzMerge "Fixed a bug that with multiple exchanges" into...
2013-01-07 Roland SchulzMerge "Essential dynamics: fixed restarts when ED group...
2013-01-07 Roland SchulzMerge "minor speed-up and code clean-up in nbnxn kernel...
2013-01-07 Christoph JunghansMerge "Make gmx_cpuid.h self-standing." into release-4-6
2013-01-05 Justin LemkulRemoved reference to nonexistent file in g_helix.
2013-01-04 Teemu MurtolaMerge "Minor fixes to g_angle help description." into...
2013-01-04 Mark AbrahamSet CMake module search path at a better time
2013-01-04 Teemu MurtolaMerge "add an option to not build the template" into...
2013-01-04 Teemu MurtolaMerge "Add missing defines to PKG_CFLAGS" into release-4-6
2013-01-04 Teemu MurtolaMerge "Fixed error message for zwitterion residues...
2013-01-03 Christoph Junghansadd an option to not build the template
2013-01-03 Christoph JunghansAdd missing defines to PKG_CFLAGS
2013-01-03 Roland SchulzMerge "Fixed GMXRC so we are not polluting standard...
2013-01-03 Justin LemkulFixed format error in online manual.
2013-01-03 Christoph JunghansMerge "Remove non-functional PowerPC invsqrt." into...
2013-01-02 Berk Hessminor speed-up and code clean-up in nbnxn kernels
2013-01-02 Szilard Pallimproved reporting of failed affinity setting
2013-01-01 Michael ShirtsFixed a bug that with multiple exchanges
2012-12-30 Erik LindahlFixed GMXRC so we are not polluting standard shell...
2012-12-30 Erik LindahlMerge "Thread-MPI fixes for i386 llvm & simplification...
2012-12-30 Teemu MurtolaRemove non-functional PowerPC invsqrt.
2012-12-30 Christoph Junghanscmake: add option to install libmd as libgmxmd
2012-12-29 Sander PronkThread-MPI fixes for i386 llvm & simplification of...
2012-12-27 Erik LindahlFixed error message for zwitterion residues
2012-12-27 Justin LemkulMinor fixes to g_angle help description.
2012-12-22 Alexey Shvetsov[tools] g_sans - add trajectory avereging
2012-12-22 Mark AbrahamNew beta release: 4.6-beta3
2012-12-22 Christoph Junghanscmake: mark FFTW_HAVE_{SIMD,AVX} as advanced
2012-12-22 Roland SchulzAdd missing visibility exports
2012-12-21 Christoph JunghansMerge "Remove non-functional compiler override for...
2012-12-21 Erik LindahlFixed gmx_cpuid not working on non-x86
2012-12-21 Teemu MurtolaMake gmx_cpuid.h self-standing.
2012-12-21 Roland SchulzIgnore bool cast warning for MSVC and C++
2012-12-21 Teemu MurtolaRemove non-functional compiler override for MacOSX.
2012-12-20 Szilard Pallfix incorrect gmx_fatal argument order
2012-12-20 Erik LindahlMerge "cmake: added option to disable quotes" into...
2012-12-20 Erik LindahlMerge "Small fix for g_tune_pme" into release-4-6
2012-12-20 Erik LindahlMerge "Fixes for andersen temperature control" into...
2012-12-20 Erik LindahlMerge "Fixes for expanded ensemble and HREPEX" into...
2012-12-20 Christoph JunghansMerge "Fixed AVX256 double-precision kernels for gcc...
2012-12-20 Christoph Junghanscmake: added option to disable quotes
2012-12-20 Michael ShirtsFixes for andersen temperature control
2012-12-20 Michael ShirtsFixes for expanded ensemble and HREPEX
2012-12-20 Erik LindahlFixed AVX256 double-precision kernels for gcc
2012-12-20 Michael ShirtsFix for the pressure in MTTK with constraints + dispersion
2012-12-20 Carsten KutznerSmall fix for g_tune_pme
2012-12-20 Carsten KutznerEssential dynamics: fixed restarts when ED group has...
2012-12-20 Berk Hessfixed recent bugs in LINCS for derivatives
2012-12-19 Mark AbrahamMerge "Remove the rest of the fortran/power6 accelerati...
2012-12-19 Mark AbrahamMerge "Always build template program" into release-4-6
2012-12-19 Mark AbrahamFix Reference build type
2012-12-19 Szilárd PállMerge "Avoid using undefined CMake variables" into...
2012-12-19 Szilárd PállMerge "Removed orphan file" into release-4-6
2012-12-19 Roland SchulzMerge "Fix license text printed by programs." into...
2012-12-19 Roland SchulzMerge changes Idc652236,If03cf569 into release-4-6
2012-12-19 Roland SchulzMerge "issue error if GPU ID is provided with GPU acc...
2012-12-19 Mark AbrahamRemoved orphan file
2012-12-19 Mark AbrahamAvoid using undefined CMake variables
2012-12-18 Christoph JunghansMerge "Fixes redmine issue #1071" into release-4-6
2012-12-18 Szilard Pallissue error if GPU ID is provided with GPU acc. off
2012-12-18 Berk Hessrenamed gmx_x86_simd_macros.h to gmx_simd_macros.h
2012-12-18 Berk Hessimplemented nbnxn AVX-256 2x(N+N) kernels
next