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

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2010-08-18	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Rossen Apostolov	Fixed the execution order in OpenMM so that the generat...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Sander Pronk	Cmake tests for SIGUSR1	commit \| commitdiff \| tree \| snapshot
2010-08-18	Rossen Apostolov	Preserve the .pl extentions to scripts.	commit \| commitdiff \| tree \| snapshot
2010-08-18	Christoph Junghans	cmake: do not suffix scripts	commit \| commitdiff \| tree \| snapshot
2010-08-18	Christoph Junghans	cmake: add so version to libs	commit \| commitdiff \| tree \| snapshot
2010-08-18	Christoph Junghans	cmake: make demux.pl and xplor2gmx.pl being installed...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Christoph Junghans	port lib suffixes to cmake	commit \| commitdiff \| tree \| snapshot
2010-08-18	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Erik Lindahl	Fix to write GB and surface energy to separate terms...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Berk Hess	reduced the warning limit for Berendsen T-coupling...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Berk Hess	removed the bNEMD boolean from the main MD loop and...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Berk Hess	added some comment to group grompp assignment options	commit \| commitdiff \| tree \| snapshot
2010-08-18	Berk Hess	added group comparison to gmxcheck and print groups...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Erik Lindahl	Enabled double precision all-vs-all kernels. Tested...	commit \| commitdiff \| tree \| snapshot
2010-08-18	Berk Hess	fixed possible pathe string buffer overflow in get_libdir	commit \| commitdiff \| tree \| snapshot
2010-08-18	Erik Lindahl	Fixed simple typo in last commit	commit \| commitdiff \| tree \| snapshot
2010-08-18	Erik Lindahl	Fixed previous nasm-segv bug for intel-syntax SSE in...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Erik Lindahl	Fixed 64-bit bug in SSE assembly (only visible with...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Erik Lindahl	Worked around an internal compiler error for MSVC when...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Erik Lindahl	Deprecated -ins option to g_hbond since nobody seems...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Sander Pronk	Fixed thread_mpi inline assembly issue and non-optimize...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Sander Pronk	fsync fix for FAH core.	commit \| commitdiff \| tree \| snapshot
2010-08-17	Erik Lindahl	Copied all-vs-all change from x86-64 to ia32 kernels too	commit \| commitdiff \| tree \| snapshot
2010-08-17	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Erik Lindahl	Fixed potential error in coulomb energy, and maybe...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Christoph Junghans	store custom GMX defines in pkgconfig files for cmake	commit \| commitdiff \| tree \| snapshot
2010-08-17	Christoph Junghans	fixed some out of srcdir build issue with cmake and...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Christoph Junghans	store custom GMX defines in pkgconfig files for autotools	commit \| commitdiff \| tree \| snapshot
2010-08-17	Christoph Junghans	split libs in Template.mak	commit \| commitdiff \| tree \| snapshot
2010-08-17	Christoph Junghans	make cmake install a CMakeLists.txt for the template...	commit \| commitdiff \| tree \| snapshot
2010-08-17	Berk Hess	added function rescale_velocities	commit \| commitdiff \| tree \| snapshot
2010-08-17	Roland Schulz	Use always DIR_SEPARATOR	commit \| commitdiff \| tree \| snapshot
2010-08-17	Roland Schulz	Fix two Windows futil bugs:	commit \| commitdiff \| tree \| snapshot
2010-08-17	Roland Schulz	fixed spelling mistake introduced by 303d4543	commit \| commitdiff \| tree \| snapshot
2010-08-16	Rossen Apostolov	Removed the nb_kernel4xx_intel_syntax.c entries from...	commit \| commitdiff \| tree \| snapshot
2010-08-16	Rossen Apostolov	Added support for improper dihedrals needed for CHARMM...	commit \| commitdiff \| tree \| snapshot
2010-08-16	Berk Hess	gmx_rmpbc now guesses ePBC again for each frame	commit \| commitdiff \| tree \| snapshot
2010-08-16	Berk Hess	gmx_rmpbc gets natoms passed again, without natoms...	commit \| commitdiff \| tree \| snapshot
2010-08-16	Berk Hess	put omp pragma's in fft5d.c between ifdef's	commit \| commitdiff \| tree \| snapshot
2010-08-16	Sander Pronk	Fixed xdr3dfcoord thread safety issues.	commit \| commitdiff \| tree \| snapshot
2010-08-16	Sander Pronk	Moved the OS-dependent part of gmx_fio_fsync() to futil.c	commit \| commitdiff \| tree \| snapshot
2010-08-16	Berk Hess	added openmp pragma's for the fft5d transpose routines	commit \| commitdiff \| tree \| snapshot
2010-08-16	Berk Hess	fixed mdrun writes tpidist.xvg on all nodes	commit \| commitdiff \| tree \| snapshot
2010-08-16	Berk Hess	fixed segv in mdrun with replica exchange	commit \| commitdiff \| tree \| snapshot
2010-08-16	Berk Hess	fixed fatal error in mdrun file appending with -multi...	commit \| commitdiff \| tree \| snapshot
2010-08-14	Sander Pronk	Fixed an issue with gmx_copy_file that would allow...	commit \| commitdiff \| tree \| snapshot
2010-08-13	Teemu Murtola	Cosmetic fixes for selection parsing.	commit \| commitdiff \| tree \| snapshot
2010-08-13	Teemu Murtola	Fixed CMake build with CMake 2.6.2.	commit \| commitdiff \| tree \| snapshot
2010-08-13	Berk Hess	gmxcheck now prints rmsd's as %g iso %f	commit \| commitdiff \| tree \| snapshot
2010-08-13	Berk Hess	moved full precision real format definition to simple.h	commit \| commitdiff \| tree \| snapshot
2010-08-13	hess	fixed apme bug that caused slightly incorrect results...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Added double precision SSE2 generalized born kernels...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Berk Hess	reverted the last, non-cosmetic change to pme.c	commit \| commitdiff \| tree \| snapshot
2010-08-12	Berk Hess	minor cosmetic changes in pme.c	commit \| commitdiff \| tree \| snapshot
2010-08-12	Rossen Apostolov	OpenMM: added support for AmberFF proper/improper torsi...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Berk Hess	made the pdb2gmx occupancy warning more obvious	commit \| commitdiff \| tree \| snapshot
2010-08-12	Berk Hess	fixed incorrect pdb2gmx output with multiple (altloc...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Added ia32 all-vs-all kernels	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Updated autoconf to work with renamed SSE2 x86-64 asm...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Renamed SSE2 x86-64 asm test file to be consistent...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Fixed typo to detect both x86_64->i386 and i386->x86_64...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Fixed a naming error introduced yesterday in 32bit...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Fixed compiler errors for MSVC inline intrinsics and...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Fixed checkpoint problem in 32 bits. We should always...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Rossen Apostolov	Fixed a reverted version string in configure.ac	commit \| commitdiff \| tree \| snapshot
2010-08-12	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Rossen Apostolov	Warnings about using broken MPI implementations.	commit \| commitdiff \| tree \| snapshot
2010-08-12	Rossen Apostolov	Updated the CMake scripts for finding CUDA, LibXml2...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Removed extra TER records after chains we think are...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-12	Erik Lindahl	Fixed SSE kernels in double precision for Cmake, workin...	commit \| commitdiff \| tree \| snapshot
2010-08-11	Sander Pronk	C++ type fixes in thread_mpi atomics.	commit \| commitdiff \| tree \| snapshot
2010-08-11	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-11	Erik Lindahl	Cmake and Nasm support for windows	commit \| commitdiff \| tree \| snapshot
2010-08-11	Berk Hess	removed -merge from the pdb2gmx manual and clarified...	commit \| commitdiff \| tree \| snapshot
2010-08-11	Rossen Apostolov	Fixed broken linking with single precision fftw3 in...	commit \| commitdiff \| tree \| snapshot
2010-08-11	Sander Pronk	Cmake now honors CFLAGS/CXXFLAGS as much as it can.	commit \| commitdiff \| tree \| snapshot
2010-08-11	Rossen Apostolov	Added a new file INSTALL.cmake with installation instr...	commit \| commitdiff \| tree \| snapshot
2010-08-11	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-11	Rossen Apostolov	CMake builds now install GMXRC* files.	commit \| commitdiff \| tree \| snapshot
2010-08-11	Berk Hess	fixed bug that caused a segv when snew failed	commit \| commitdiff \| tree \| snapshot
2010-08-11	Rossen Apostolov	Fix for CMake builds so that they don't fail even when...	commit \| commitdiff \| tree \| snapshot
2010-08-11	Teemu Murtola	Fixed non-interactive stdin selection parsing.	commit \| commitdiff \| tree \| snapshot
2010-08-10	Erik Lindahl	Moved four more SSE assembly files to avoid double...	commit \| commitdiff \| tree \| snapshot
2010-08-10	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-10	Erik Lindahl	Changes to make Cmake work under windows again	commit \| commitdiff \| tree \| snapshot
2010-08-10	Erik Lindahl	Renamed intel syntax assembly files to avoid double...	commit \| commitdiff \| tree \| snapshot
2010-08-10	Rossen Apostolov	Bumped version to 4.5-beta3	commit \| commitdiff \| tree \| snapshot
2010-08-10	Rossen Apostolov	Fixed a typo in src/tools/CMakeLists.txt.	commit \| commitdiff \| tree \| snapshot
2010-08-10	Erik Lindahl	Added NASM Cmake support	commit \| commitdiff \| tree \| snapshot
2010-08-10	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-10	Teemu Murtola	Fixed a segfault in selection code.	commit \| commitdiff \| tree \| snapshot
2010-08-10	Rossen Apostolov	Added missing NULL in chainsep enum in pdb2gmx.	commit \| commitdiff \| tree \| snapshot
2010-08-10	Erik Lindahl	MAYBE a fix for Berk's Heme problem. Needs testing	commit \| commitdiff \| tree \| snapshot
2010-08-10	Berk Hess	removed CYS2 from the Amber rtp files	commit \| commitdiff \| tree \| snapshot
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