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

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2015-06-28	Erik Lindahl	Fix one error and compiler warnings with Cuda & clang-3.6	commit \| commitdiff \| tree
2015-06-27	Erik Lindahl	Fix IBM VSX SIMD compiles with xlc	commit \| commitdiff \| tree
2015-06-26	Erik Lindahl	Fix compile issues on K computer	commit \| commitdiff \| tree
2015-06-26	Erik Lindahl	Fix buffer size issues in string database	commit \| commitdiff \| tree
2015-06-25	Erik Lindahl	Fix edr appending and exact continuation	commit \| commitdiff \| tree
2015-06-25	Erik Lindahl	Fix binary exact continuation for trajectories	commit \| commitdiff \| tree
2015-06-24	Erik Lindahl	Avoid accessing hackblocks for x2top	commit \| commitdiff \| tree
2015-06-23	Erik Lindahl	Updated physical constants from NIST 2010 CODATA	commit \| commitdiff \| tree
2015-06-23	Erik Lindahl	Removed buggy -smooth hack in hbond module	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix compiler warnings in cmake tests	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Use MPI_THREAD_FUNNELED when available	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix segfault in random access XTC searching	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix argument order error for g_rmsdist	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix gro errors with PDB insertion codes	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Updated docs for g_gyrate	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Fix potential buffer overflow in pdb2gmx	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Disallow infinite epsilon with PME or GB.	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Remove GMX_MAX_MPI_THREADS	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Fix reproducibility bug in fft5d	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Handle multidir/multisim with single argument correctly	commit \| commitdiff \| tree
2015-06-19	Erik Lindahl	Fix incorrect shift with g_density -center	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Fix CUDA version info in NVML application clock warning	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Add membrane embedding docs	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Updated FFTW recommendations in install-guide.	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Fix segfault with timer reset and -nb cpu	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Avoid warning about affinity on Blue Gene, reduce warnings	commit \| commitdiff \| tree
2015-06-15	Erik Lindahl	Fix OS X FFTW build failures introduced 86a772	commit \| commitdiff \| tree
2015-06-15	Erik Lindahl	Fixed SIMD detection and flags common for IBM archs	commit \| commitdiff \| tree
2015-06-07	Erik Lindahl	Fix out-of-range integer literals for threefry	commit \| commitdiff \| tree
2015-06-04	Erik Lindahl	More new quotes	commit \| commitdiff \| tree
2015-05-17	Erik Lindahl	Added hacks for SIMD rvec/load store in lincs & bondeds	commit \| commitdiff \| tree
2015-03-30	Erik Lindahl	Quote from Szilard's talk at GTC2015	commit \| commitdiff \| tree
2015-03-25	Erik Lindahl	Quote from Jen-Hsun at the NVIDIA GTC conference 2015	commit \| commitdiff \| tree
2015-03-03	Erik Lindahl	Added single-accuracy SIMD double math functions	commit \| commitdiff \| tree
2015-02-24	Erik Lindahl	Added AVX-512ER SIMD support	commit \| commitdiff \| tree
2015-02-24	Erik Lindahl	Add AVX-512F SIMD support	commit \| commitdiff \| tree
2015-02-20	Erik Lindahl	Famous quote from Colleen McCullough	commit \| commitdiff \| tree
2015-02-20	Erik Lindahl	Added two pop-culture quotes from Andy Warhol.	commit \| commitdiff \| tree
2015-01-19	Erik Lindahl	Added two quotes from Julie Bernauer habilitation	commit \| commitdiff \| tree
2014-09-30	Erik Lindahl	Add Power8 VSX SIMD support	commit \| commitdiff \| tree
2014-09-30	Erik Lindahl	Avoid using function calls in OpenMP directives	commit \| commitdiff \| tree
2014-09-22	Erik Lindahl	More quotes	commit \| commitdiff \| tree
2014-09-20	Erik Lindahl	Fix RelWithDebInfo name bugs, and use full optimization.	commit \| commitdiff \| tree
2014-09-20	Erik Lindahl	Added a bunch of new and old quotes.	commit \| commitdiff \| tree
2014-09-18	Erik Lindahl	Add Power/PowerPC VMX SIMD support	commit \| commitdiff \| tree
2014-09-11	Erik Lindahl	Enable static anon namespace workaround on pathscale	commit \| commitdiff \| tree
2014-09-10	Erik Lindahl	Improve performance of MIC exponential	commit \| commitdiff \| tree
2014-09-08	Erik Lindahl	Add 64-bit AArch64 asimd SIMD support	commit \| commitdiff \| tree
2014-09-08	Erik Lindahl	Add 32-bit ARM Neon SIMD support	commit \| commitdiff \| tree
2014-09-04	Erik Lindahl	K-computer specific modifications	commit \| commitdiff \| tree
2014-09-03	Erik Lindahl	Fixed sc_power==48 crash in single precision	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	Erik Lindahl	Fixed string var expansion in CMake due to CMP0053	commit \| commitdiff \| tree
2014-08-31	Erik Lindahl	Added negative zero preprocessor constants	commit \| commitdiff \| tree
2014-08-20	Erik Lindahl	Add _GNU_SOURCE=1 to find clone() with PGI	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
2014-08-10	Erik Lindahl	Make internal BLAS/LAPACK messages less noisy	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
2014-08-07	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
2014-08-01	Erik Lindahl	Added tests for denormal and underflow for simd exp()	commit \| commitdiff \| tree
2014-07-27	Erik Lindahl	Fix selection of xtc groups not starting at index 0	commit \| commitdiff \| tree
2014-07-13	Erik Lindahl	Avoid clang/32 optimization affecting IEEE endian detection	commit \| commitdiff \| tree
2014-07-11	Erik Lindahl	Make AVX2 check more robust	commit \| commitdiff \| tree
2014-07-08	Erik Lindahl	Make IEEE754 check more robust	commit \| commitdiff \| tree
2014-06-29	Erik Lindahl	Fixed free energy with LJ-PME	commit \| commitdiff \| tree
2014-06-29	Erik Lindahl	Enable rtp angle/dihedral entries not connected by...	commit \| commitdiff \| tree
2014-06-28	Erik Lindahl	Fixed CMAP generation for alanine dipeptide special...	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	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
2014-06-24	Erik Lindahl	Fixed recent bug with disp.corr. and vdwtype=shift	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
2014-06-18	Erik Lindahl	Fixed CMake 2.8.12+ CUDA dylib bugs and warnings on...	commit \| commitdiff \| tree
2014-06-17	Erik Lindahl	Disabled replica exchange when T not in order	commit \| commitdiff \| tree
2014-06-14	Erik Lindahl	Make sure figure legends are adapted to xmgr/xmgrace	commit \| commitdiff \| tree
2014-06-13	Erik Lindahl	Force g_bond to use structure file	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Added dummy mass for charmm TYR aromatic vsites	commit \| commitdiff \| tree
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