alexxy/gromacs.git
2013-03-27 Berk Hesscorrected log file wall time breakdown
2013-03-19 Christoph JunghansMerge "Essential dynamics: fixed legend in ED .xvg...
2013-03-12 Mark AbrahamMerge "fix broken things in mkhtml" into release-4-6
2013-03-11 Mark AbrahamMerge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...
2013-03-08 Carsten KutznerEssential dynamics: fixed legend in ED .xvg output...
2013-03-06 Roland SchulzMerge "fixed PME time print with -ntomp_pme != -ntomp...
2013-03-05 Mark AbrahamNew patch release 4.6.1
2013-03-05 Mark AbrahamFix automated regression testing GMXLIB value
2013-03-05 Berk Hessfixed bug with DD cut-off check and PME DLB
2013-03-05 Mark AbrahamFix regressiontests automated download
2013-03-05 Berk Hessfixed recent bug with sorting atoms for GPUs
2013-03-05 Mark AbrahamUpdate shell completions
2013-03-05 Mark AbrahamUpdate outdated admin things
2013-03-05 Roland SchulzFixes linkage with FFTW + MKL for BLAS/LAPACK
2013-03-05 Justin LemkulFixes for install guide page.
2013-03-05 Mark AbrahamUpdated install guide
2013-03-05 Mark AbrahamWarn if X11 was not found and the user wanted it
2013-03-05 Mark Abrahamfix broken things in mkhtml
2013-03-02 Christoph JunghansMerge "Uncrustified code changes since 4.6" into releas...
2013-02-28 Peter KassonDeclaration-definition consistency nbxn_cuda_wait_gpu.
2013-02-26 Berk Hessfixed PME time print with -ntomp_pme != -ntomp
2013-02-26 Mark AbrahamUncrustified code changes since 4.6
2013-02-25 Michael Shirtsfix imcompatibility with tpr vers<64 with free energy...
2013-02-20 Christoph JunghansBump shared object version to 8
2013-02-20 Berk Hessfixed issues with FEP soft-core and cut-off's
2013-02-20 Mark AbrahamMerge release-4-5-patches into release-4-6
2013-02-18 Berk Hessfixed GPU particle gridding performance issue
2013-02-18 Carsten KutznerMade g_tune_pme work with 4.6 if user sets "-p" command...
2013-02-18 Mark AbrahamFix CMake namespace pollution
2013-02-18 Roland SchulzIssue errors/warnings for ICC before 12.0.0
2013-02-15 Michael Shirtsbugfix for md-vv + nose-hoover + (nstcalcenergy > nsttc...
2013-02-15 Mark AbrahamUse explicit kernel pointer typecasts
2013-02-15 Mark AbrahamMerge "Minor fixes to Verlet kernels" into release-4-6
2013-02-15 Mark AbrahamMerge "improved PME load balancing reporting" into...
2013-02-15 Mark AbrahamMerge "Re-generated group kernels" into release-4-6
2013-02-15 Mark AbrahamMerge "Unwinds flag dependencies in g_order." into...
2013-02-15 David van der... Merge "Fixed an initialization issue in gmx_dipoles...
2013-02-15 Mark AbrahamMerge "use legacy CUDA non-bonded kernels only on Fermi...
2013-02-15 Mark AbrahamMerge "More descriptive Verlet kernel macro parameter...
2013-02-15 Sander PronkFixed an initialization issue in gmx_dipoles.
2013-02-15 Berk Hessimproved PME load balancing reporting
2013-02-15 Mark AbrahamMinor fixes to Verlet kernels
2013-02-15 Peter KassonUnwinds flag dependencies in g_order.
2013-02-15 Mark AbrahamMerge "Fix and add Verlet kernel error messages" into...
2013-02-13 Sander PronkMerge "Fix code bug with thread-MPI on PowerPC with...
2013-02-13 Roland SchulzMerge "Fixed the MPI recognition string in g_tune_pme...
2013-02-13 Roland SchulzMerge "improve setup of multiple tf tables" into releas...
2013-02-13 David van der... Plain text quotes.
2013-02-13 Mark AbrahamFix code bug with thread-MPI on PowerPC with xlc
2013-02-13 Mark AbrahamMore descriptive Verlet kernel macro parameter names
2013-02-13 Mark AbrahamFix and add Verlet kernel error messages
2013-02-13 Mark AbrahamRe-generated group kernels
2013-02-13 Sander PronkAdded extra check in for setaffinity support.
2013-02-13 Carsten KutznerFixed the MPI recognition string in g_tune_pme
2013-02-13 Roland SchulzMerge "Updated FindGSL.cmake to version written by...
2013-02-12 Mark AbrahamMerge "PME-only counters are now reset with -maxh ...
2013-02-12 Christoph JunghansUpdated FindGSL.cmake to version written by me.
2013-02-12 Mark AbrahamMerge "fixed bug with sd integrator and OpenMP threadin...
2013-02-12 Mark AbrahamMerge "Fix CUDA_HOST_COMPILER flag name" into release-4-6
2013-02-10 Szilárd Pálluse legacy CUDA non-bonded kernels only on Fermi
2013-02-09 Roland SchulzMerge "Typo fix" into release-4-6
2013-02-09 Mark AbrahamTypo fix
2013-02-08 Roland SchulzFix CUDA_HOST_COMPILER flag name
2013-02-08 Mark AbrahamMerge "added back cuda.h includes to fix missing CUDA_V...
2013-02-08 Mark AbrahamMerge "Fixed flop counting for generic cg/adress kernel...
2013-02-08 Mark AbrahamMerge "cmake: fixed typo in template CMakeLists.txt...
2013-02-06 Berk Hessfixed bug with sd integrator and OpenMP threading
2013-02-05 Christoph JunghansMerge "Documented what GMX_CPU_ACCELERATION really...
2013-02-05 Christoph Junghansimprove setup of multiple tf tables
2013-02-05 Mark AbrahamMerge "improved load balancing on the GPU" into release-4-6
2013-02-05 Mark AbrahamDocumented what GMX_CPU_ACCELERATION really means
2013-02-05 Berk Hessimproved load balancing on the GPU
2013-02-04 Berk Hessfixed segv in init_forcerec with fr->hwinfo=NULL
2013-02-02 Christoph JunghansFixed flop counting for generic cg/adress kernels
2013-02-02 Christoph Junghanscmake: fixed typo in template CMakeLists.txt
2013-02-01 Berk HessPME-only counters are now reset with -maxh -resethway
2013-01-29 Sebastian FritschAdResS: fixes bug in the neighbour list routine
2013-01-25 Christoph Junghansfixed copyright of adress kernel
2013-01-25 Christoph JunghansMerge "Moved a few comments back into position" into...
2013-01-24 Han Wangfix invalid read in construct_vsites
2013-01-24 Szilard Palladded back cuda.h includes to fix missing CUDA_VERSION
2013-01-22 Mark AbrahamMerge "Illegal acceleration defaulted to QPX" into...
2013-01-22 Mark AbrahamMerge "Re-licenced FindGROMACS.cmake (was written by...
2013-01-22 Roland SchulzIllegal acceleration defaulted to QPX
2013-01-22 Mark AbrahamMerge "Fix TOUPPER usage" into release-4-6
2013-01-22 Mark AbrahamMerge "Updated html manual to 4.6" into release-4-6
2013-01-22 Mark AbrahamMerge "added missing cleanup of some nbnxn_cuda data...
2013-01-22 Roland SchulzFix TOUPPER usage
2013-01-22 Roland SchulzUpdated html manual to 4.6
2013-01-22 Carsten KutznerMoved a few comments back into position
2013-01-21 Christoph JunghansMerge "Set version info for 4.6.x release series" into...
2013-01-19 Christoph JunghansRe-licenced FindGROMACS.cmake (was written by me)
2013-01-19 Roland SchulzFix AVX double compile error
2013-01-19 Roland SchulzAdd fftpack to EXTRA_DIST
2013-01-19 Roland SchulzRelease 4.5.6
2013-01-18 Mark AbrahamSet version info for 4.6.x release series
2013-01-18 Mark AbrahamNew major release: 4.6
2013-01-18 Michael ShirtsAddendum for expanded ensemble options plus formatting...
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6
2013-01-18 Roland SchulzFix typo
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