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

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2015-01-16	Mark Abraham	Fix BlueGene/Q build with recent CMake	commit \| commitdiff \| tree
2015-01-15	Berk Hess	Fix allocation issue with VV integrator	commit \| commitdiff \| tree
2015-01-14	Mark Abraham	Fix and suppress warnings on BlueGene/Q	commit \| commitdiff \| tree
2014-12-22	Berk Hess	Fixed pbc=xy + 2 walls + Verlet scheme	commit \| commitdiff \| tree
2014-12-22	Berk Hess	Fix bug FE + GPU + 2/3D domain decomposition	commit \| commitdiff \| tree
2014-12-15	Mark Abraham	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2014-12-09	Carsten Kutzner	Make tune_pme understand the "-nsteps" option. Fixes...	commit \| commitdiff \| tree
2014-12-08	Berk Hess	Fixed pull coord init with rate!=0, t_start!=0	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Fix group-scheme bug with changing LJ parameters in FE	commit \| commitdiff \| tree
2014-12-08	Berk Hess	Added PBC note to comm-mode=angular warning	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Clarified grompp pull error messages	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Avoid race on dvdl with Verlet+OpenMP+LINCS+FE+VV	commit \| commitdiff \| tree
2014-12-01	Berk Hess	Added warning for unnecessary soft-core	commit \| commitdiff \| tree
2014-11-29	Christian Wennberg	Fixed typo in amber99sb-ildn force field	commit \| commitdiff \| tree
2014-11-27	Mark Abraham	Remove use of interaction_mask_indices on BG/Q	commit \| commitdiff \| tree
2014-11-26	Ake Sandgren	Fix problem with mixed affinity mask on different nodes.	commit \| commitdiff \| tree
2014-11-26	Berk Hess	Fixed triclinic 1xNx1 domain decomposition	commit \| commitdiff \| tree
2014-11-25	Berk Hess	Fixed twin-range + freeze + constraints	commit \| commitdiff \| tree
2014-11-24	Magnus Lundborg	When writing TNG the input must contain molecule data.	commit \| commitdiff \| tree
2014-11-12	Berk Hess	Corrected parameter for sorting on search grid	commit \| commitdiff \| tree
2014-11-12	Berk Hess	Fix DD bonded interaction range print	commit \| commitdiff \| tree
2014-11-12	Carsten Kutzner	Updated some .mdp file variables to use "-" instead...	commit \| commitdiff \| tree
2014-11-09	Justin Lemkul	Removed spurious GLY dihedral in AMBER03.	commit \| commitdiff \| tree
2014-10-29	Teemu Murtola	Improve analysis nbsearch grid mapping	commit \| commitdiff \| tree
2014-10-20	Berk Hess	Removed f_novirsum reduction in Verlet scheme	commit \| commitdiff \| tree
2014-10-20	Carsten Kutzner	Fix order of ED/swap blocks during checkpoint reading.	commit \| commitdiff \| tree
2014-09-30	Szilard Pall	Fix incorrect LJ cut-off with GPU + PME tuning	commit \| commitdiff \| tree
2014-09-30	Berk Hess	Avoid DLB with overloaded PME ranks	commit \| commitdiff \| tree
2014-09-30	Berk Hess	Added GPU local wait to load balancing	commit \| commitdiff \| tree
2014-09-30	Erik Lindahl	Avoid using function calls in OpenMP directives	commit \| commitdiff \| tree
2014-09-29	Berk Hess	Domain decomposition now checks the rlist buffer	commit \| commitdiff \| tree
2014-09-29	Roland Schulz	Clarify GCC+Win+AVX warning	commit \| commitdiff \| tree
2014-09-29	Berk Hess	SIMD acceleration for RB dihedrals	commit \| commitdiff \| tree
2014-09-29	Mark Abraham	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2014-09-29	Berk Hess	Avoid PME tuning decreasing rcoulomb	commit \| commitdiff \| tree
2014-09-29	Berk Hess	Fix calc_grid avoiding PME grid factor 84	commit \| commitdiff \| tree
2014-09-23	David van der Spoel	Fixes potential bug in neighborsearching.	commit \| commitdiff \| tree
2014-09-18	Roland Schulz	Fix double linkage for tests	commit \| commitdiff \| tree
2014-09-17	Roland Schulz	Add missing quotes	commit \| commitdiff \| tree
2014-09-17	Roland Schulz	Fix shared libs for Mingw	commit \| commitdiff \| tree
2014-09-16	Roland Schulz	Fix warnings for ICC 15	commit \| commitdiff \| tree
2014-09-11	Erik Lindahl	Enable static anon namespace workaround on pathscale	commit \| commitdiff \| tree
2014-09-04	Roland Schulz	Add Mingw warnings	commit \| commitdiff \| tree
2014-09-04	Erik Lindahl	K-computer specific modifications	commit \| commitdiff \| tree
2014-09-04	Christoph Junghans	cmake: missing quote	commit \| commitdiff \| tree
2014-09-03	Erik Lindahl	Fixed sc_power==48 crash in single precision	commit \| commitdiff \| tree
2014-09-03	Mark Abraham	Fix mis-use of fabs in LAPACK	commit \| commitdiff \| tree
2014-09-03	Mark Abraham	More hacking to get the template to detect and build	commit \| commitdiff \| tree
2014-09-03	Roland Schulz	Fix that TNG tests were not run	commit \| commitdiff \| tree
2014-09-03	Erik Lindahl	Fixed preprocessor error for AVX_128_FMA simd	commit \| commitdiff \| tree
2014-09-02	Erik Lindahl	Fix formatting of fatal errors in g_bar	commit \| commitdiff \| tree
2014-09-02	Roland Schulz	Fix PRINT_ALLOC_KB output	commit \| commitdiff \| tree
2014-09-02	Magnus Lundborg	TNG Fix for GMX_DOUBLE builds and where ZLIB is not...	commit \| commitdiff \| tree
2014-09-02	Magnus Lundborg	Fix data block length when uncompressing TNG data.	commit \| commitdiff \| tree
2014-09-01	Magnus Lundborg	TNG: Handle large files on 32 bit systems.	commit \| commitdiff \| tree
2014-09-01	Justin Lemkul	Updated x-axis label for g_wham.	commit \| commitdiff \| tree
2014-09-01	Magnus Lundborg	When writing TNG include file closing in wallcycle.	commit \| commitdiff \| tree
2014-09-01	Mark Abraham	Fix and document issues with template.cpp	commit \| commitdiff \| tree
2014-09-01	Mark Abraham	Merge "Merge branch release-4-6 into release-5-0" into...	commit \| commitdiff \| tree
2014-09-01	Mark Abraham	Fixes and updates to BlueGene/Q support	commit \| commitdiff \| tree
2014-09-01	Mark Abraham	Merge "Merge branch release-4-6 into release-5-0" into...	commit \| commitdiff \| tree
2014-08-31	Erik Lindahl	Added negative zero preprocessor constants	commit \| commitdiff \| tree
2014-08-28	Berk Hess	Fixed two PME issues with MPI+OpenMP	commit \| commitdiff \| tree
2014-08-24	Berk Hess	Initialize unused velocity constraint components	commit \| commitdiff \| tree
2014-08-23	Mark Abraham	Unify documentation for webpage build	commit \| commitdiff \| tree
2014-08-22	Mark Abraham	Fix zlib usage with TNG	commit \| commitdiff \| tree
2014-08-21	Magnus Lundborg	Fixed TNG memory alignment problem and reset pointers.	commit \| commitdiff \| tree
2014-08-20	Erik Lindahl	Add _GNU_SOURCE=1 to find clone() with PGI	commit \| commitdiff \| tree
2014-08-20	Roland Schulz	Change error to warning for missing OMP_NUM_THREADS	commit \| commitdiff \| tree
2014-08-20	Erik Lindahl	Fix matrix pointer dereference bug in update.c	commit \| commitdiff \| tree
2014-08-20	Erik Lindahl	Enable SIMD register calling convention with gmx_simdcall	commit \| commitdiff \| tree
2014-08-20	Erik Lindahl	Add cycle counters for 64-bit ARM	commit \| commitdiff \| tree
2014-08-20	Erik Lindahl	Shorten plugin configuration message	commit \| commitdiff \| tree
2014-08-17	Erik Lindahl	Fix Portland compiler warnings	commit \| commitdiff \| tree
2014-08-17	Berk Hess	Halved the cost of the pull communication	commit \| commitdiff \| tree
2014-08-17	Roland Schulz	Don't build tests until they are run	commit \| commitdiff \| tree
2014-08-16	Mark Abraham	Fix gmx tune_pme with LJ-PME	commit \| commitdiff \| tree
2014-08-16	Mark Abraham	Fix wallcycle counting with md-vv, sd and sd2	commit \| commitdiff \| tree
2014-08-16	Teemu Murtola	Disable analysisdata generic tests if not compilable	commit \| commitdiff \| tree
2014-08-14	Berk Hess	Corrected SIMD math overflow documentation	commit \| commitdiff \| tree
2014-08-11	Stefan Fleischmann	Avoid stack overflow on Windows with CMake > 2.8.10.2	commit \| commitdiff \| tree
2014-08-10	Erik Lindahl	Improve Gromacs portability	commit \| commitdiff \| tree
2014-08-10	Erik Lindahl	Replace __LP64__ with check for pointer size	commit \| commitdiff \| tree
2014-08-10	Berk Hess	Added checks for TPI + Verlet scheme	commit \| commitdiff \| tree
2014-08-10	Roland Schulz	Check MD5sum for regressiontest	commit \| commitdiff \| tree
2014-08-07	Erik Lindahl	Fix portability issue with ArrayRef initializer overloading	commit \| commitdiff \| tree
2014-08-07	Erik Lindahl	Changed names of test files to avoid Fujitsu compiler bug	commit \| commitdiff \| tree
2014-08-05	Berk Hess	Fix hang with LJ-PME and empty domains	commit \| commitdiff \| tree
2014-08-05	Roland Schulz	Workaround for ICC 14	commit \| commitdiff \| tree
2014-08-01	Erik Lindahl	Added tests for denormal and underflow for simd exp()	commit \| commitdiff \| tree
2014-07-28	Roland Schulz	Fix build of binary package	commit \| commitdiff \| tree
2014-07-28	Roland Schulz	Remove Random123/features	commit \| commitdiff \| tree
2014-07-25	Roland Schulz	Workaround for ICC 14 bug	commit \| commitdiff \| tree
2014-07-24	Roland Schulz	Fix Cygwin+Shared-Libs+FFTW	commit \| commitdiff \| tree
2014-07-21	Roland Schulz	Fix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS	commit \| commitdiff \| tree
2014-07-16	Teemu Murtola	Fix HTML help and man pages for commands with dashes	commit \| commitdiff \| tree
2014-07-13	Erik Lindahl	Avoid clang/32 optimization affecting IEEE endian detection	commit \| commitdiff \| tree
2014-07-11	Teemu Murtola	Fix HTML links that contain file extensions	commit \| commitdiff \| tree
2014-07-09	Mark Abraham	Quieten repeated cmake runs	commit \| commitdiff \| tree
2014-07-09	Roland Schulz	Fix Cygwin build	commit \| commitdiff \| tree
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