BioD PNPI Git Repos - alexxy/gromacs.git/search

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2013-05-28	Carsten Kutzner	Fix for a rare condition in flexible rotation potentials.	commit \| commitdiff \| tree
2013-05-25	Mark Abraham	Make FFT detection quieter when nothing is changing	commit \| commitdiff \| tree
2013-05-24	Sander Pronk	Fixed a potential race condition in tMPI_Thread_create()	commit \| commitdiff \| tree
2013-05-22	Mark Abraham	Clarify g_gyrate -h	commit \| commitdiff \| tree
2013-05-22	Mark Abraham	Fix g_chi -omega	commit \| commitdiff \| tree
2013-05-22	Pedro Lacerda	Fix genion -nq and -pq when using -neutral	commit \| commitdiff \| tree
2013-05-21	Mark Abraham	Updated grompp cut-off and PME-Switch checks	commit \| commitdiff \| tree
2013-05-21	P S Lacerda	Fix -neutral option in genion	commit \| commitdiff \| tree
2013-05-21	Michael Shirts	Fixed problem with bond constraint dhdl being left out	commit \| commitdiff \| tree
2013-05-21	Erik Lindahl	Fujitsu Sparc64 acceleration and general fixes for...	commit \| commitdiff \| tree
2013-05-21	Sander Pronk	New version of thread_mpi with many minor enhancements	commit \| commitdiff \| tree
2013-05-21	Mark Abraham	Hack compiler flags to silence warnings on gcc 4.8	commit \| commitdiff \| tree
2013-05-17	Mark Abraham	Introduce fatal error for GB with FE	commit \| commitdiff \| tree
2013-05-16	Justin Lemkul	Fixed g_sgangle legends.	commit \| commitdiff \| tree
2013-05-16	Carsten Kutzner	Choose the PBC image of each rotation group atom depending	commit \| commitdiff \| tree
2013-05-15	Christoph Junghans	Merge "fixed incorrect scaling of cos-acceleration...	commit \| commitdiff \| tree
2013-05-10	Sander Pronk	Merge "Fixing handling of perturbation mass changes...	commit \| commitdiff \| tree
2013-05-10	Mark Abraham	Merge "Fixes "Function type U-B not implemented in...	commit \| commitdiff \| tree
2013-05-10	Mark Abraham	Merge "improve build with OpenMM, still not 100% fixed...	commit \| commitdiff \| tree
2013-05-10	Mark Abraham	Merge "fixing rerun with free energy + .xtc or .gro...	commit \| commitdiff \| tree
2013-05-10	Christoph Junghans	improve build with OpenMM, still not 100% fixed	commit \| commitdiff \| tree
2013-04-29	Carsten Kutzner	Evaluate enforced rotation potenial with Verlet, fixes...	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "Update linking to MKL and document same" into...	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "general SIMD acceleration for angles+dihedrals...	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "PME load balancing now checks for PME grid restrictio...	commit \| commitdiff \| tree
2013-04-29	Berk Hess	general SIMD acceleration for angles+dihedrals	commit \| commitdiff \| tree
2013-04-29	Mark Abraham	Merge "Fixing a problem with dh/dl 1-4 interactions...	commit \| commitdiff \| tree
2013-04-26	Mark Abraham	Merge "CUDA PME kernels with analytical Ewald correction...	commit \| commitdiff \| tree
2013-04-26	Mark Abraham	Merge "improved load balancing with Verlet cut-off...	commit \| commitdiff \| tree
2013-04-26	Christoph Junghans	Merge "v-rescale works with tau-t >= 0" into release-4-6	commit \| commitdiff \| tree
2013-04-25	Mark Abraham	Merge "Merge branch 'release-4-5-patches'" into release-4-6	commit \| commitdiff \| tree
2013-04-22	Mark Abraham	Merge "Use git snapshots of the tests if are on git...	commit \| commitdiff \| tree
2013-04-16	Christoph Junghans	Use git snapshots of the tests if are on git	commit \| commitdiff \| tree
2013-04-16	David van der Spoel	Merge "corrected grompp rvdw charge-group radii check...	commit \| commitdiff \| tree
2013-04-13	David van der Spoel	Merge "added mdrun check for Verlet+perturbed atoms...	commit \| commitdiff \| tree
2013-04-12	Mark Abraham	Merge "removed x86 specifics from nbnxn SIMD kernels...	commit \| commitdiff \| tree
2013-04-12	Mark Abraham	Merge "corrected log file wall time breakdown" into...	commit \| commitdiff \| tree
2013-04-12	Mark Abraham	Merge "made PME work with a mix of 1 and more threads...	commit \| commitdiff \| tree
2013-04-10	Teemu Murtola	Merge "Merge release-4-5-patches into release-4-6"...	commit \| commitdiff \| tree
2013-03-29	Christoph Junghans	Merge "Added install guide section for BLAS/LAPACK...	commit \| commitdiff \| tree
2013-03-19	Christoph Junghans	Merge "Essential dynamics: fixed legend in ED .xvg...	commit \| commitdiff \| tree
2013-03-12	Mark Abraham	Merge "fix broken things in mkhtml" into release-4-6	commit \| commitdiff \| tree
2013-03-11	Mark Abraham	Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...	commit \| commitdiff \| tree
2013-03-06	Roland Schulz	Merge "fixed PME time print with -ntomp_pme != -ntomp...	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	New patch release 4.6.1	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Fix automated regression testing GMXLIB value	commit \| commitdiff \| tree
2013-03-05	Berk Hess	fixed bug with DD cut-off check and PME DLB	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Fix regressiontests automated download	commit \| commitdiff \| tree
2013-03-05	Berk Hess	fixed recent bug with sorting atoms for GPUs	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Update shell completions	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Update outdated admin things	commit \| commitdiff \| tree
2013-03-05	Justin Lemkul	Fixes for install guide page.	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Updated install guide	commit \| commitdiff \| tree
2013-03-02	Christoph Junghans	Merge "Uncrustified code changes since 4.6" into release-4-6	commit \| commitdiff \| tree
2013-02-20	Christoph Junghans	Bump shared object version to 8	commit \| commitdiff \| tree
2013-02-20	Berk Hess	fixed issues with FEP soft-core and cut-off's	commit \| commitdiff \| tree
2013-02-18	Berk Hess	fixed GPU particle gridding performance issue	commit \| commitdiff \| tree
2013-02-18	Carsten Kutzner	Made g_tune_pme work with 4.6 if user sets "-p" command...	commit \| commitdiff \| tree
2013-02-18	Mark Abraham	Fix CMake namespace pollution	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Merge "Minor fixes to Verlet kernels" into release-4-6	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Merge "improved PME load balancing reporting" into...	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Merge "Re-generated group kernels" into release-4-6	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Merge "Unwinds flag dependencies in g_order." into...	commit \| commitdiff \| tree
2013-02-15	David van der Spoel	Merge "Fixed an initialization issue in gmx_dipoles...	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Merge "use legacy CUDA non-bonded kernels only on Fermi...	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Merge "More descriptive Verlet kernel macro parameter...	commit \| commitdiff \| tree
2013-02-15	Berk Hess	improved PME load balancing reporting	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Minor fixes to Verlet kernels	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Merge "Fix and add Verlet kernel error messages" into...	commit \| commitdiff \| tree
2013-02-13	Sander Pronk	Merge "Fix code bug with thread-MPI on PowerPC with...	commit \| commitdiff \| tree
2013-02-13	Roland Schulz	Merge "Fixed the MPI recognition string in g_tune_pme...	commit \| commitdiff \| tree
2013-02-13	Roland Schulz	Merge "improve setup of multiple tf tables" into release-4-6	commit \| commitdiff \| tree
2013-02-13	Roland Schulz	Merge "Updated FindGSL.cmake to version written by...	commit \| commitdiff \| tree
2013-02-12	Mark Abraham	Merge "PME-only counters are now reset with -maxh ...	commit \| commitdiff \| tree
2013-02-12	Christoph Junghans	Updated FindGSL.cmake to version written by me.	commit \| commitdiff \| tree
2013-02-12	Mark Abraham	Merge "fixed bug with sd integrator and OpenMP threading...	commit \| commitdiff \| tree
2013-02-12	Mark Abraham	Merge "Fix CUDA_HOST_COMPILER flag name" into release-4-6	commit \| commitdiff \| tree
2013-02-09	Roland Schulz	Merge "Typo fix" into release-4-6	commit \| commitdiff \| tree
2013-02-08	Mark Abraham	Merge "added back cuda.h includes to fix missing CUDA_VERSIO...	commit \| commitdiff \| tree
2013-02-08	Mark Abraham	Merge "Fixed flop counting for generic cg/adress kernels...	commit \| commitdiff \| tree
2013-02-08	Mark Abraham	Merge "cmake: fixed typo in template CMakeLists.txt...	commit \| commitdiff \| tree
2013-02-05	Christoph Junghans	Merge "Documented what GMX_CPU_ACCELERATION really...	commit \| commitdiff \| tree
2013-02-05	Mark Abraham	Merge "improved load balancing on the GPU" into release-4-6	commit \| commitdiff \| tree
2013-02-01	Berk Hess	PME-only counters are now reset with -maxh -resethway	commit \| commitdiff \| tree
2013-01-25	Christoph Junghans	Merge "Moved a few comments back into position" into...	commit \| commitdiff \| tree
2013-01-22	Mark Abraham	Merge "Illegal acceleration defaulted to QPX" into...	commit \| commitdiff \| tree
2013-01-22	Mark Abraham	Merge "Re-licenced FindGROMACS.cmake (was written by...	commit \| commitdiff \| tree
2013-01-22	Roland Schulz	Illegal acceleration defaulted to QPX	commit \| commitdiff \| tree
2013-01-22	Mark Abraham	Merge "Fix TOUPPER usage" into release-4-6	commit \| commitdiff \| tree
2013-01-22	Mark Abraham	Merge "Updated html manual to 4.6" into release-4-6	commit \| commitdiff \| tree
2013-01-22	Mark Abraham	Merge "added missing cleanup of some nbnxn_cuda data...	commit \| commitdiff \| tree
2013-01-22	Roland Schulz	Fix TOUPPER usage	commit \| commitdiff \| tree
2013-01-22	Roland Schulz	Updated html manual to 4.6	commit \| commitdiff \| tree
2013-01-21	Christoph Junghans	Merge "Set version info for 4.6.x release series" into...	commit \| commitdiff \| tree
2013-01-18	Mark Abraham	Set version info for 4.6.x release series	commit \| commitdiff \| tree
2013-01-18	Mark Abraham	New major release: 4.6	commit \| commitdiff \| tree
2013-01-18	Michael Shirts	Addendum for expanded ensemble options plus formatting...	commit \| commitdiff \| tree
2013-01-18	Roland Schulz	Fix typo	commit \| commitdiff \| tree
2013-01-18	Roland Schulz	Code beautification with uncrustify	commit \| commitdiff \| tree
2013-01-18	Roland Schulz	Add colon after macro to help uncrustify	commit \| commitdiff \| tree
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