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

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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	Erik Lindahl	Improve PDB I/O (keep occupancy, b-factor, element)	commit \| commitdiff \| tree
2014-06-27	Erik Lindahl	Avoid warnings about coupling when free_energy=no	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	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
2014-06-23	Erik Lindahl	Enable terminus-specific atom translation	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
2014-06-22	Erik Lindahl	Make log file option listing similar to mdp names	commit \| commitdiff \| tree
2014-06-21	Erik Lindahl	Make sure masses are copied from termini databases	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Removed undocumented -map and -mdata options from g_sham.	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Always write output from genion	commit \| commitdiff \| tree
2014-06-09	Erik Lindahl	Fixed the output format of g_principal	commit \| commitdiff \| tree
2014-06-09	Erik Lindahl	Modify single/double EPS to agree with ISO C	commit \| commitdiff \| tree
2014-06-07	Erik Lindahl	Added package version to tng_io CMakelists.txt	commit \| commitdiff \| tree
2014-06-02	Erik Lindahl	Added grompp checks for zero atom masses in state B	commit \| commitdiff \| tree
2014-06-01	Erik Lindahl	Fixed typo in manual	commit \| commitdiff \| tree
2014-06-01	Erik Lindahl	Two quotes contributed by Vedran Miletic	commit \| commitdiff \| tree
2014-04-07	Erik Lindahl	Make sure water optimization is disabled for esoteric...	commit \| commitdiff \| tree
2014-03-16	Erik Lindahl	Use a constant instead of sizeof(int) for SSE2 immediate...	commit \| commitdiff \| tree
2014-02-26	Erik Lindahl	Added message to warn that group kernels are deprecated.	commit \| commitdiff \| tree
2014-02-26	Erik Lindahl	Redesigned SIMD module and unit tests.	commit \| commitdiff \| tree
2014-02-11	Erik Lindahl	First part of commit for redesigned SIMD module - namechanges.	commit \| commitdiff \| tree
2014-02-01	Erik Lindahl	Added AVX2 detection to cmake and created CPU acceleration...	commit \| commitdiff \| tree
2014-02-01	Erik Lindahl	Use pseudo-random instead of random streams to intialize...	commit \| commitdiff \| tree
2013-12-17	Erik Lindahl	Added a bunch of quotes from the 2013 Nobel lectures	commit \| commitdiff \| tree
2013-12-16	Erik Lindahl	Moved shared/static library detection to separate module	commit \| commitdiff \| tree
2013-12-16	Erik Lindahl	Moved FFT library processing to separate module	commit \| commitdiff \| tree
2013-12-16	Erik Lindahl	Moved compiler problem detection into separate module	commit \| commitdiff \| tree
2013-12-16	Erik Lindahl	Moved OpenMP detection to separate file.	commit \| commitdiff \| tree
2013-11-15	Erik Lindahl	Merge "Merge branch release-4-6"	commit \| commitdiff \| tree
2013-09-25	Erik Lindahl	Fix bug in (long) neighborlist SIMD padding when adding...	commit \| commitdiff \| tree
2013-05-21	Erik Lindahl	Fujitsu Sparc64 acceleration and general fixes for...	commit \| commitdiff \| tree
2013-01-18	Erik Lindahl	Merge "remove unnecessary cmake messages" into release-4-6	commit \| commitdiff \| tree
2013-01-18	Erik Lindahl	Merge "fix OpenMP detection on Mac OS broken by a6fee0b...	commit \| commitdiff \| tree
2013-01-16	Erik Lindahl	Fixed GB interactions for release-4-6	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Merge "made SHAKE work again with particle decompostion...	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Added basic CPU topology information to cpuid code	commit \| commitdiff \| tree
2013-01-11	Erik Lindahl	Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Fixed flop-accounting for periodic improper dihedrals	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Disallow the use of Clang to compile AVX_128_FMA	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Remove broken g_dih tool	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Revert default rlist/rvdw/rcoulomb to valid values...	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Fixes SSE/AVX compilation under Windows	commit \| commitdiff \| tree
2013-01-09	Erik Lindahl	Merge "Corrected gmxcheck output for Gromos96 bonds...	commit \| commitdiff \| tree
2013-01-09	Erik Lindahl	Added work-around for gcc bug in AVX intrinsincs formal...	commit \| commitdiff \| tree
2013-01-08	Erik Lindahl	Add check to remove zero Charmm dihedrals	commit \| commitdiff \| tree
2013-01-08	Erik Lindahl	Do not always add -msse2 to release flags for icc	commit \| commitdiff \| tree
2012-12-30	Erik Lindahl	Fixed GMXRC so we are not polluting standard shell...	commit \| commitdiff \| tree
2012-12-30	Erik Lindahl	Merge "Thread-MPI fixes for i386 llvm & simplification...	commit \| commitdiff \| tree
2012-12-27	Erik Lindahl	Fixed error message for zwitterion residues	commit \| commitdiff \| tree
2012-12-21	Erik Lindahl	Fixed gmx_cpuid not working on non-x86	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "cmake: added option to disable quotes" into...	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "Small fix for g_tune_pme" into release-4-6	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "Fixes for andersen temperature control" into...	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Merge "Fixes for expanded ensemble and HREPEX" into...	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Fixed AVX256 double-precision kernels for gcc	commit \| commitdiff \| tree
2012-11-29	Erik Lindahl	Double precision AVX-256 kernels	commit \| commitdiff \| tree
2012-11-29	Erik Lindahl	Double precision AVX_128_FMA kernels	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	SSE4.1 double precision kernels	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	Double precision SSE2 kernels	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	Ported back some AVX256 optimizations to SSE2/SSE4...	commit \| commitdiff \| tree
2012-11-28	Erik Lindahl	128-bit AVX kernels, with FMA instructions for Opteron...	commit \| commitdiff \| tree
2012-11-27	Erik Lindahl	Nonbonded group kernels for 256-bit AVX (Intel CPUs)	commit \| commitdiff \| tree
2012-11-27	Erik Lindahl	Merge "Added affinity support check, visibility macros...	commit \| commitdiff \| tree
2012-11-27	Erik Lindahl	Merge "fixed bug in nbnxn OpenMP non-bonded force reduction...	commit \| commitdiff \| tree
2012-11-26	Erik Lindahl	Merge "Use stat for gmx_is_file. Fix get_libdir with...	commit \| commitdiff \| tree
2012-11-26	Erik Lindahl	Merge "Extended build information output and reference...	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Fix for icc 13 optimization-related issue and TIP4P...	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Implemented RMS-based force tolerance in gmxcheck	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Fixed LJ-14 error in free energy	commit \| commitdiff \| tree
2012-11-19	Erik Lindahl	SSE4.1 single-precision kernels	commit \| commitdiff \| tree
2012-11-16	Erik Lindahl	SSE2 single-precision kernels	commit \| commitdiff \| tree
2012-11-13	Erik Lindahl	Removed some unnecessary instructions, and fixed a...	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removed old (now unused) bluegene kernels.	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removed unused old kernel generator	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removal of stale Fortran/Power6 kernels	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removal of stale Fortran kernels	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Fixed bug in the new switch-modified interactions in...	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Allow rcoulomb=rlistlong for PME with nstcalclr=1	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Infrastructure for new group kernels, and new C kernels	commit \| commitdiff \| tree
2012-06-21	Erik Lindahl	Fixed gcc inline assembly issue with PIC and older...	commit \| commitdiff \| tree
2012-06-16	Erik Lindahl	New CPU detection & AVX/SSE code, removed raw assembly...	commit \| commitdiff \| tree
2011-09-16	Erik Lindahl	Merge "made allocation for LINCS with particle decomposition...	commit \| commitdiff \| tree
2011-09-13	Erik Lindahl	Introduced different options for pdb2gmx termini introductio...	commit \| commitdiff \| tree
2011-09-13	Erik Lindahl	Fixed incorrection AmberGS force field (redmine #728)	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Update doc to clarify that Amber nucleic params are...	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Update doc to clarify that Amber nucleic params are...	commit \| commitdiff \| tree
2011-01-30	Erik Lindahl	Improved PBC handling for large molecules during cluster PBC	commit \| commitdiff \| tree
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