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

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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
2014-08-10	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
2014-07-08	Erik Lindahl	Make IEEE754 check more robust	commit \| commitdiff \| tree
2014-07-08	Teemu Murtola	Make selections ignore \r in input	commit \| commitdiff \| tree
2014-07-07	Mark Abraham	Fix tarball and install, particularly for INSTALL	commit \| commitdiff \| tree
2014-07-05	Magnus Lundborg	Fix bug causing reading next frame not to stop.	commit \| commitdiff \| tree
2014-07-05	Magnus Lundborg	Fix tng_num_frame_sets_get() with no frame sets.	commit \| commitdiff \| tree
2014-07-05	Teemu Murtola	Reinstantiate unsorted index group check	commit \| commitdiff \| tree
2014-07-05	Roland Schulz	Add running tests to install-guide	commit \| commitdiff \| tree
2014-07-05	Teemu Murtola	Update some installation-related docs	commit \| commitdiff \| tree
2014-07-01	Mark Abraham	Fix GMock to work on MSVC	commit \| commitdiff \| tree
2014-06-29	Mark Abraham	Refer to "mixed" precision in user-facing documentation	commit \| commitdiff \| tree
2014-06-29	Berk Hess	Take LJ-PME into account for table spacing	commit \| commitdiff \| tree
2014-06-29	Erik Lindahl	Fixed free energy with LJ-PME	commit \| commitdiff \| tree
2014-06-29	Mark Abraham	Convert install guide to markdown	commit \| commitdiff \| tree
2014-06-29	Mark Abraham	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2014-06-29	Berk Hess	Updated LJ-PME documentation	commit \| commitdiff \| tree
2014-06-29	Rossen Apostolov	Use cosistent style when referring to force fields.	commit \| commitdiff \| tree
2014-06-29	Teemu Murtola	Remove some hardcoded selection string buffers	commit \| commitdiff \| tree
2014-06-29	Roland Schulz	Fix detection of i386 in tmpi	commit \| commitdiff \| tree
2014-06-29	Erik Lindahl	Enable rtp angle/dihedral entries not connected by...	commit \| commitdiff \| tree
2014-06-29	Michael Shirts	Allow printing potential energies to dhdl.xvg file	commit \| commitdiff \| tree
2014-06-29	David van der Spoel	Fixes #1532, SEGV in g_current.	commit \| commitdiff \| tree
2014-06-29	Roland Schulz	Merge "Merge branch 'release-4-6' into release-5-0...	commit \| commitdiff \| tree
2014-06-28	Roland Schulz	Fix error for no 64bit file support	commit \| commitdiff \| tree
2014-06-28	Erik Lindahl	Fixed CMAP generation for alanine dipeptide special...	commit \| commitdiff \| tree
2014-06-28	Magnus Lundborg	Update TNG build system	commit \| commitdiff \| tree
2014-06-28	Mark Abraham	Use parallel terminology more consistently	commit \| commitdiff \| tree
2014-06-28	ngoga	Default SD integrator is now sd1 by Nicu Goga	commit \| commitdiff \| tree
2014-06-27	Erik Lindahl	Always set b-state posres, even if identical to a-state	commit \| commitdiff \| tree
2014-06-27	Erik Lindahl	Update g_density to handle bilayers better	commit \| commitdiff \| tree
2014-06-27	Erik Lindahl	Fix LJPME Lorentz-Berthelot combination rules	commit \| commitdiff \| tree
2014-06-27	Rossen Apostolov	Changed linking order to make Extrae work.	commit \| commitdiff \| tree
2014-06-27	Erik Lindahl	Improve PDB I/O (keep occupancy, b-factor, element)	commit \| commitdiff \| tree
2014-06-27	Carsten Kutzner	Remove obsolete pull-geometry option 'position' from...	commit \| commitdiff \| tree
2014-06-27	Roland Schulz	Fix Phi Platform file for MPI	commit \| commitdiff \| tree
2014-06-27	Erik Lindahl	Avoid warnings about coupling when free_energy=no	commit \| commitdiff \| tree
2014-06-27	Rossen Apostolov	Added information about dihedral restraints.	commit \| commitdiff \| tree
2014-06-27	Rossen Apostolov	Remove install_manifest.txt during make clean.	commit \| commitdiff \| tree
2014-06-26	Mark Abraham	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2014-06-25	Erik Lindahl	Updated Amber GBSA parameters	commit \| commitdiff \| tree
2014-06-25	Erik Lindahl	Make source compile under Linux X32 ABI	commit \| commitdiff \| tree
2014-06-25	Erik Lindahl	Make it harder for compiler to optimize away SIMD CMake...	commit \| commitdiff \| tree
2014-06-24	Mark Abraham	Manual fixes	commit \| commitdiff \| tree
2014-06-24	Magnus Lundborg	Improved check to decide if to add chain/residue.	commit \| commitdiff \| tree
2014-06-24	David van der Spoel	Added check in grompp for shells and inputrec issues.	commit \| commitdiff \| tree
2014-06-24	Erik Lindahl	Fixed GROMOS assignment of PRO-NH terminus torsions	commit \| commitdiff \| tree
2014-06-24	Erik Lindahl	Make sure duplicates bondeds are set from hackblocks	commit \| commitdiff \| tree
2014-06-24	Erik Lindahl	Clean up CMAP placement in parameter list	commit \| commitdiff \| tree
2014-06-24	Erik Lindahl	Added multisimulation info to log/output	commit \| commitdiff \| tree
2014-06-24	Rossen Apostolov	Extend version checking/warnings for checkpoint continuation	commit \| commitdiff \| tree
2014-06-23	Rossen Apostolov	Added tip5p to the list of watermodels in some FF.	commit \| commitdiff \| tree
2014-06-23	Erik Lindahl	Enable 4-letter resname in PDB output, keeps more pdbinfo.	commit \| commitdiff \| tree
2014-06-23	Erik Lindahl	Detect non-fatal warnings when trying CFlags for source	commit \| commitdiff \| tree
2014-06-23	Erik Lindahl	Enable xvgr output and labels for g_principal	commit \| commitdiff \| tree
2014-06-23	Erik Lindahl	Disallow extracting V/F from XTC files in g_traj	commit \| commitdiff \| tree
2014-06-23	Erik Lindahl	Warn if using nsteps=0 without continuation=yes	commit \| commitdiff \| tree
2014-06-21	Vedran Miletić	Use ${CMAKE_INSTALL_LIBDIR} as lib directory for tng_io...	commit \| commitdiff \| tree
2014-06-20	Berk Hess	Fix g_mindist with pbc=XY	commit \| commitdiff \| tree
2014-06-20	Rossen Apostolov	Fixed typo in oplsaa ASPH charges.	commit \| commitdiff \| tree
2014-06-20	Rossen Apostolov	Removed unused parameters and cleanup of inputrec.	commit \| commitdiff \| tree
2014-06-19	Roland Schulz	Fix ref error in constraint pull code	commit \| commitdiff \| tree
2014-06-19	Rossen Apostolov	Small typos in surface tension description.	commit \| commitdiff \| tree
2014-06-19	Magnus Lundborg	Bumped the TNG library to the latest version.	commit \| commitdiff \| tree
2014-06-18	Erik Lindahl	Fixed CMake 2.8.12+ CUDA dylib bugs and warnings on...	commit \| commitdiff \| tree
2014-06-18	Rossen Apostolov	Added reference to cmap in pdb2gmx.	commit \| commitdiff \| tree
2014-06-18	Berk Hess	Fixed sign error in posres dvdl	commit \| commitdiff \| tree
2014-06-18	Mark Abraham	Made mdrun warn when generic kernels are used	commit \| commitdiff \| tree
2014-06-17	Carlo Camilloni	Fix a Replica Exchange output problem	commit \| commitdiff \| tree
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