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

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2010-08-26	Rossen Apostolov	Modified the OpenMM wrapper interface to support the...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Rossen Apostolov	Added the g_pme_error tool from Florian Dommert. Thanks!	commit \| commitdiff \| tree \| snapshot
2010-08-26	Rossen Apostolov	Fixed hardcoded OpenMM library name.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	gmx_bar now works with derivative histogram sets.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Fixed pointer typo in patch from Alexey Shvetsov	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Added PBC checking patch to g_cluster from Alexey Shvet...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Modified pdb2gmx to not accept extra hydrogen atoms...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	Free energy histogram bug fixes.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	true/false input settings should be called bool instead...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Berk Hess	fixed bug that caused corrupted checkpoint files	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	derivative histograms are now written in both positive...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Berk Hess	pdb2gmx now only allows a mismatch of a sign (iso any...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	g_bar reads dhdl.xvg files without derivatives.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Sander Pronk	Free energy writing to ener.edr and four new options...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Teemu Murtola	Fixed valgrind warnings and a segfault in pdb2gmx.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Spelling fixes in pdb2gmx documentation	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Made the description of ld_seed and gen_seed seed gener...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Revert "Made pdb2gmx be slightly more helpful when...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Rossen Apostolov	Removed the unnecessary hacks from some boolean statements.	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated completions for 4.5 release	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Made /usr/local/gromacs default installation path in...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated html documentation for release 4.5	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated manual pages, now with correct version (4.5...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Fix for warning in ngmx makefile	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Changed version to beta4	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated scripts to produce 4.5 man pages	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Updated manpages for 4.5 release	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	Removed useless g_logo and g_highway programs from...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Erik Lindahl	g_kinetics removed from automatically built programs...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Fixed HTML documentation to use proper '&ge', not ...	commit \| commitdiff \| tree \| snapshot
2010-08-26	Mark Abraham	Clarified documentation about when gen_vel generates...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Fixed include path in vmdio.h	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Forgot to actually do the char->int change...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Changed bool to signed integer instead of unsigned...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Added missing header include	commit \| commitdiff \| tree \| snapshot
2010-08-25	hess	turned on pdb2gmx Amber rtp renaming for pdb input...	commit \| commitdiff \| tree \| snapshot
2010-08-25	hess	fixed pdb2gmx not automatically changing termini rtp...	commit \| commitdiff \| tree \| snapshot
2010-08-25	David van der...	Made genrestr -constr to produce constraints of type...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Erik Lindahl	Made sure all source files have some copyright header...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Mark Abraham	Fixed leak from unclosed directory handles when pdb2gmx...	commit \| commitdiff \| tree \| snapshot
2010-08-25	Mark Abraham	Made pdb2gmx be slightly more helpful when using AMBER...	commit \| commitdiff \| tree \| snapshot
2010-08-24	Erik Lindahl	Re-added openmm paper	commit \| commitdiff \| tree \| snapshot
2010-08-24	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-24	Erik Lindahl	Updated intel syntax x86-64 asm files to also support...	commit \| commitdiff \| tree \| snapshot
2010-08-24	hess	pdb2gmx can now rename terminal rtp entries with rtp...	commit \| commitdiff \| tree \| snapshot
2010-08-24	hess	added Amber terminal His rtp names to residuetypes.dat	commit \| commitdiff \| tree \| snapshot
2010-08-24	Sander Pronk	Another try with xlc/ppc atomics..	commit \| commitdiff \| tree \| snapshot
2010-08-24	Berk Hess	fixed pdb2gmx using start name iso end name for C-terminus	commit \| commitdiff \| tree \| snapshot
2010-08-24	Berk Hess	fixed bug in search_rtp introduced in previous commit	commit \| commitdiff \| tree \| snapshot
2010-08-24	Berk Hess	updated gmx_membed.c for a VV update	commit \| commitdiff \| tree \| snapshot
2010-08-24	Berk Hess	fixed pdb2gmx behavior for nearly matching residue...	commit \| commitdiff \| tree \| snapshot
2010-08-24	hess	renamed oplsaa HISA to HISD and HISB to HISE in all...	commit \| commitdiff \| tree \| snapshot
2010-08-24	hess	fixed too permissive check for pdb2gmx warning about...	commit \| commitdiff \| tree \| snapshot
2010-08-24	hess	reenabled the pdb2gmx force field sorting	commit \| commitdiff \| tree \| snapshot
2010-08-23	Sander Pronk	Modified memory barrier on ppc/xlc.	commit \| commitdiff \| tree \| snapshot
2010-08-23	Sander Pronk	Enabled gcc atomic intrinsics for gcc on ppc.	commit \| commitdiff \| tree \| snapshot
2010-08-23	Sander Pronk	More xlc ppc changes to thread_mpi	commit \| commitdiff \| tree \| snapshot
2010-08-23	Christoph Junghans	fixed 2 typos in headers	commit \| commitdiff \| tree \| snapshot
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-23	Rossen Apostolov	Fixed a typo about non-existing macro in OpenMM	commit \| commitdiff \| tree \| snapshot
2010-08-23	Christoph Junghans	Fixed threads flags in pc files for autotools	commit \| commitdiff \| tree \| snapshot
2010-08-23	Berk Hess	removed the pdb2gmx -cwd option and updated the pdb2gmx...	commit \| commitdiff \| tree \| snapshot
2010-08-23	Berk Hess	pdb2gmx now prints the force field dir before the selec...	commit \| commitdiff \| tree \| snapshot
2010-08-23	Mark Abraham	Two spelling fixes in comment and output	commit \| commitdiff \| tree \| snapshot
2010-08-23	Pär Bjelkmar	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-23	Pär Bjelkmar	Added CT3 termini and minor edit in doc file.	commit \| commitdiff \| tree \| snapshot
2010-08-23	Berk Hess	fixed mpi hang/crash with separate pme nodes and dd...	commit \| commitdiff \| tree \| snapshot
2010-08-23	Sander Pronk	Completely removed all occurrences of 'inline' for...	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Fixed uninitialized variable error in GB kernel with...	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Fixed an unsigned/signed integer comparison	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Fixed two more instances of strcasecmp->gmx_strcasecmp	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Copied SSE intrinsics kernels from x86-64 to ia32	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Replaced all occurences of str(n)casecmp with gmx_str...	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Fixed stupid mistake where a statement was placed befor...	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Replaced testing of git version with testing for features	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Fixed naming problems for double precision Fortran...	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Fixed a typo in futil.h	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Cleaned up all installed headers to remove strict depen...	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Removed some unnecessary #ifdefs from string2.h; all...	commit \| commitdiff \| tree \| snapshot
2010-08-22	David van der...	Fixed bug 417.	commit \| commitdiff \| tree \| snapshot
2010-08-22	Erik Lindahl	Amber force fields now pass validation. Beta status...	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Added F77 kernel setup headers	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Fixed synchronization counter update for f77 kernels	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Fixed a bug for GB OBC born radius calculation in SSE2...	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Fixed an uninitialized variable bug	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Fixed a minor bug that caused Fortran builds to fail...	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Dont write nonpolar surface energy to energy file if...	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Fixed so Fortran kernels work again	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Upgraded to latest autoconf platform detection scripts	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Fixed a chain rule error in double prec. SSE2 GB for...	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2010-08-21	Erik Lindahl	Double precision SSE2 kernels for Generalized Born...	commit \| commitdiff \| tree \| snapshot
2010-08-20	Sander Pronk	Added support for new mdp options controlling free...	commit \| commitdiff \| tree \| snapshot
2010-08-20	Berk Hess	added function do_cpte_n_reals to checkpoint.c	commit \| commitdiff \| tree \| snapshot
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