Fixes to config.h.cmakein to set GMX_QMMM_ORCA.
[alexxy/gromacs.git] / src / config.h.cmakein
2013-06-28 Justin LemkulFixes to config.h.cmakein to set GMX_QMMM_ORCA.
2013-05-21 Erik LindahlFujitsu Sparc64 acceleration and general fixes for...
2013-05-21 Sander PronkNew version of thread_mpi with many minor enhancements
2013-04-19 Teemu MurtolaMerge branch 'release-4-5-patches'
2013-03-26 Roland SchulzMerge release-4-5-patches into release-4-6
2013-02-20 Mark AbrahamMerge release-4-5-patches into release-4-6
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6
2013-01-17 Mark AbrahamMerge branch 'release-4-5-patches' into release-4-6
2013-01-17 Roland SchulzFix confusing gmx_header_config.h include
2013-01-17 Christoph Junghansclean up fortran name mangling
2013-01-15 Sander PronkMerge "Continuation of documentation for expanded ensem...
2013-01-13 Christoph JunghansMerge "Remove unused bfunc.h." into release-4-6
2013-01-13 Christoph JunghansMerge "Clarified some comments & warnings about thread...
2013-01-13 Christoph JunghansMerge "Manage BlueGene/Q configuration" into release-4-6
2013-01-13 Mark AbrahamManage BlueGene/Q configuration
2013-01-11 Christoph JunghansMerge "Fix CUDA being quiet and mark all CUDA_* as...
2013-01-11 Roland SchulzMerge release-4-5-patches into release-4-6
2013-01-09 Erik LindahlMerge "Corrected gmxcheck output for Gromos96 bonds...
2013-01-09 Roland SchulzMerge "Added work-around for gcc bug in AVX intrinsincs...
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...
2013-01-07 Roland SchulzMerge "fixed nbnxn AVX-256 Ewald table pointer alignmen...
2013-01-07 Roland SchulzMerge "cmake: remove double-negative quotes logic"...
2013-01-07 Roland SchulzMerge "Print out atom numbers in g_rmsf" into release...
2013-01-07 Roland SchulzMerge "Ignore bool cast warning for MSVC and C++" into...
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 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
2013-01-04 Teemu MurtolaMerge "Minor fixes to g_angle help description." into...
2013-01-04 Teemu MurtolaMerge "Fixed error message for zwitterion residues...
2013-01-03 Roland SchulzMerge "Fixed GMXRC so we are not polluting standard...
2013-01-03 Christoph JunghansMerge "Remove non-functional PowerPC invsqrt." into...
2012-12-30 Teemu MurtolaRemove non-functional PowerPC invsqrt.
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 Christoph JunghansMerge "Fixed AVX256 double-precision kernels for gcc...
2012-12-20 Christoph Junghanscmake: added option to disable quotes
2012-12-19 Mark AbrahamMerge "Remove the rest of the fortran/power6 accelerati...
2012-12-17 Christoph JunghansRemove the rest of the fortran/power6 acceleration
2012-11-29 Mark AbrahamUpdate copyright statements and change license to LGPL
2012-11-27 Erik LindahlMerge "Added affinity support check, visibility macros...
2012-11-27 Erik LindahlMerge "fixed bug in nbnxn OpenMP non-bonded force reduc...
2012-11-27 David van der SpoelMerge "Merge release-4-5-patches into release-4-6"...
2012-11-26 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-26 Roland SchulzMerge "Clean up some mathematical constants" into relea...
2012-11-26 Erik LindahlMerge "Use stat for gmx_is_file. Fix get_libdir with...
2012-11-26 Erik LindahlMerge "Extended build information output and reference...
2012-11-25 Teemu MurtolaExtended build information output and reference build...
2012-11-24 Roland SchulzUse stat for gmx_is_file. Fix get_libdir with symlinks.
2012-11-20 Christoph JunghansMerge "Fix g_msd -mol" into release-4-6
2012-11-20 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-17 David van der SpoelMerge "Added grompp warning" into release-4-6
2012-11-17 David van der SpoelMerge "Remove rest of the xml support" into release-4-6
2012-11-17 Roland SchulzMerge "Removing Zn and Ar non-OPLS atom types" into...
2012-11-16 Christoph JunghansRemove rest of the xml support
2012-11-16 David van der SpoelMerge "Removes unused files" into release-4-6
2012-11-16 Erik LindahlSSE2 single-precision kernels
2012-11-11 Roland SchulzFix FMA4 compile for GCC and MSVC
2012-11-10 Roland SchulzMerge "Fix broken manual formatting" into release-4-6
2012-11-10 Teemu MurtolaRemove obsolete GMX_THREAD_SHM_FDECOMP.
2012-11-08 Christoph JunghansMerge "auto-set nvcc host compiler with FindMPI detecti...
2012-11-08 Erik LindahlInfrastructure for new group kernels, and new C kernels
2012-11-07 Szilard Palldetect externally set CPU affinity
2012-11-03 Roland SchulzMerge release-4-5-patches into release-4-6
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD
2012-06-26 Roland SchulzMerge "Fix gmx_fatal for serial compilation" into relea...
2012-06-25 Szilard Pallintroduce gmx_omp wrapper for the OpenMP API
2012-06-24 Michael ShirtsMerge "Fix mdp_opt formatting of expanded ensemble...
2012-06-22 Christoph JunghansMerge "Simple patch for openmm_wrapper.cpp" into releas...
2012-06-16 Erik LindahlNew CPU detection & AVX/SSE code, removed raw assembly...
2012-06-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-29 David van der SpoelMerge "changed number of iatoms for F_SETTLE from 1...
2012-04-29 David van der SpoelMerge "added support for graphs not starting at 0"...
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-28 Teemu MurtolaMerge "Fix for sigaction" into release-4-6
2012-04-27 Roland SchulzFix for sigaction
2012-04-26 Berk HessMerge "Merge release-4-5-patches into release-4-6"...
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6
2012-04-23 Christoph JunghansMerge "compiler flag fixes" into release-4-6
2012-04-22 Roland SchulzMerge "enable command line option cheking in mdrun...
2012-04-17 Mark AbrahamAdded Windows-specific #defines, and use them
2012-04-16 Sander PronkMerge "Permit threads build on Cygwin" into release...
2012-04-11 Roland SchulzFix that directory is not mistaken for binary
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-03-16 Roland SchulzMerge release-4-5-patches into release-4-6
2012-02-29 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-02-23 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-21 Christoph JunghansMerge "changed default epsilon-rf value to 0" into...
2012-02-19 Berk HessMerge "Generate warnings for QMMM usage" into release-4-6
2012-02-15 Christoph JunghansRemoved FFTw2 support
2012-02-09 Szilard Pallrenamed GMX_THREADS to GMX_THREAD_MPI
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