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2011-11-25	Roland Schulz	Cleaning up some bad coding practices	commit \| commitdiff \| tree
2011-10-11	Alexey Shvetsov	Updated grompp.mdp for tutor/water	commit \| commitdiff \| tree
2011-10-11	Roland Schulz	Fixes MPI_GROUP_EMPTY for tMPI	commit \| commitdiff \| tree
2011-10-05	Roland Schulz	Only create group if part of load communicator and...	commit \| commitdiff \| tree
2011-08-10	Roland Schulz	Make sure that ftell works correctly for files opened...	commit \| commitdiff \| tree
2011-05-15	Roland Schulz	corrected typo: if(errno=EINVAL)	commit \| commitdiff \| tree
2011-02-04	Roland Schulz	using set_mm_ps to make pgi happy	commit \| commitdiff \| tree
2010-11-08	Roland Schulz	making error message for vmdio clearer (bug 598)	commit \| commitdiff \| tree
2010-11-04	Roland Schulz	print more information in case of lock error	commit \| commitdiff \| tree
2010-10-13	Roland Schulz	make sure that the MANPATH is not set to only GMXMANPATH	commit \| commitdiff \| tree
2010-10-11	Roland Schulz	fixed spelling	commit \| commitdiff \| tree
2010-10-08	Roland Schulz	fixed locking of log file - broken by d750b9ce	commit \| commitdiff \| tree
2010-10-07	Roland Schulz	added a comment about assumptions of aligned memory	commit \| commitdiff \| tree
2010-10-04	Roland Schulz	fix broken check for dlopen (by Christoph Junghans...	commit \| commitdiff \| tree
2010-10-01	Roland Schulz	fix FFTW3 interface for non aligned memory	commit \| commitdiff \| tree
2010-09-30	Roland Schulz	made vmdio work with older api version (e.g. vmd 1...	commit \| commitdiff \| tree
2010-09-27	Roland Schulz	include "error.h" was not neccessary and caused problems...	commit \| commitdiff \| tree
2010-09-26	Roland Schulz	1) gmx_fio_seek was not returning correct return value...	commit \| commitdiff \| tree
2010-09-23	Roland Schulz	vmdio read the box but didn't mark it as beeing read...	commit \| commitdiff \| tree
2010-09-19	Roland Schulz	fixed box vector read in vmdio	commit \| commitdiff \| tree
2010-08-26	Roland Schulz	Revert "Parenthesis around comparisons and no <= or...	commit \| commitdiff \| tree
2010-08-27	Roland Schulz	fix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_BIG_E...	commit \| commitdiff \| tree
2010-08-27	Roland Schulz	Parenthesis around comparisons and no <= or >= for xlc	commit \| commitdiff \| tree
2010-08-17	Roland Schulz	Use always DIR_SEPARATOR	commit \| commitdiff \| tree
2010-08-17	Roland Schulz	Fix two Windows futil bugs:	commit \| commitdiff \| tree
2010-08-17	Roland Schulz	fixed spelling mistake introduced by 303d4543	commit \| commitdiff \| tree
2010-08-06	Roland Schulz	Merge branch 'release-4-5-patches' of ssh://git.gromacs...	commit \| commitdiff \| tree
2010-08-06	Roland Schulz	cleanup: GMX_CG_INNERLOOP isn't used anymore	commit \| commitdiff \| tree
2010-08-01	Roland Schulz	include sys/types before regex for broken regex.h	commit \| commitdiff \| tree
2010-08-01	Roland Schulz	fix spelling etc epc	commit \| commitdiff \| tree
2010-08-01	Roland Schulz	added missing initialization	commit \| commitdiff \| tree
2010-07-03	Roland Schulz	runtime is only available on PP master (simmaster)...	commit \| commitdiff \| tree
2010-07-02	Roland Schulz	intializing structs (to avoid valgrind error messages)	commit \| commitdiff \| tree
2010-07-02	Roland Schulz	Initialize FFT data. So that Valgrind doesn't complain	commit \| commitdiff \| tree
2010-05-11	Roland Schulz	undo (accidential) change to FFTW_PATIENT	commit \| commitdiff \| tree
2010-05-11	Roland Schulz	using standard GMX names for real/complex	commit \| commitdiff \| tree
2010-05-10	Roland Schulz	fixed return for gmx_fft_many_1d*	commit \| commitdiff \| tree
2010-05-10	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-05-10	Roland Schulz	ignore Eclipse project files	commit \| commitdiff \| tree
2010-05-10	Roland Schulz	always define MPI_Comm, MPI_Request, MPI_Group to avoid...	commit \| commitdiff \| tree
2010-04-06	Roland Schulz	use gmx_alloc_aligned for fft data	commit \| commitdiff \| tree
2010-03-16	Roland Schulz	Compiles now in serial	commit \| commitdiff \| tree
2010-03-16	Roland Schulz	+ Removed all FFTW dependencies of FFT5D	commit \| commitdiff \| tree
2010-03-16	Roland Schulz	calling gmx_fft for 1D FFTs instead of directly calling...	commit \| commitdiff \| tree
2010-03-15	Roland Schulz	directly call fftw for serial case	commit \| commitdiff \| tree
2010-03-15	Roland Schulz	removed memcpy for both no-MPI and 1D decomposition	commit \| commitdiff \| tree
2010-03-08	Roland Schulz	c++ fixes	commit \| commitdiff \| tree
2010-03-08	Roland Schulz	checking whether dlopen is working with static library...	commit \| commitdiff \| tree
2010-03-07	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	commit \| commitdiff \| tree
2010-02-25	Roland Schulz	error message for -fit rot+trans -pbc	commit \| commitdiff \| tree
2010-02-25	Roland Schulz	error message for -fit rot+trans -pbc	commit \| commitdiff \| tree
2010-02-08	Roland Schulz	fix to FLT_EPSILON	commit \| commitdiff \| tree
2010-02-08	Roland Schulz	Merge branch '2dpme' of git@git.gromacs.org:gromacs...	commit \| commitdiff \| tree
2010-02-08	Roland Schulz	fixed C89 erros, FLT_EPSILON (thanks Peter)	commit \| commitdiff \| tree
2010-01-18	Roland Schulz	corrected: opening binary file with rb+ instead of r+	commit \| commitdiff \| tree
2010-01-17	Roland Schulz	small fix for using with fftw transpose	commit \| commitdiff \| tree
2010-01-14	Roland Schulz	Merge branch '2dpme' of git@git.gromacs.org:gromacs...	commit \| commitdiff \| tree
2010-01-14	Roland Schulz	updated comments	commit \| commitdiff \| tree
2010-01-14	Roland Schulz	reduced communication and FFT to amount required	commit \| commitdiff \| tree
2010-01-13	Roland Schulz	Merge branch 'tmp' into 2dpme	commit \| commitdiff \| tree
2010-01-13	Roland Schulz	improved debugging output	commit \| commitdiff \| tree
2010-01-12	Roland Schulz	updated a comment to reflect a earlier change	commit \| commitdiff \| tree
2010-01-07	Roland Schulz	fixed a bug in fft5d only effecting external test programs	commit \| commitdiff \| tree
2010-01-07	Roland Schulz	made evendist compile time option also in fft5d	commit \| commitdiff \| tree
2010-01-07	Roland Schulz	Merge branch '2dpme' of git@git.gromacs.org:gromacs...	commit \| commitdiff \| tree
2010-01-05	Roland Schulz	equally distribute grid lines if not divisable	commit \| commitdiff \| tree
2010-01-05	Roland Schulz	Undo Michael's accidental commits with:	commit \| commitdiff \| tree
2009-12-30	Roland Schulz	made fft5d compile outside of GROMACS again	commit \| commitdiff \| tree
2009-12-16	Roland Schulz	Merge commit 'origin/master' into 2dpme	commit \| commitdiff \| tree
2009-12-16	Roland Schulz	Added CMake code to enable option of building "old...	commit \| commitdiff \| tree
2009-12-15	Roland Schulz	Merge branch '2dpme' of git@git.gromacs.org:gromacs...	commit \| commitdiff \| tree
2009-12-15	Roland Schulz	Restored 4?? x86_64_sse kernels (needed for FAH). Instead...	commit \| commitdiff \| tree
2009-12-11	Roland Schulz	Added CMake code to enable option of building "old...	commit \| commitdiff \| tree
2009-12-11	Roland Schulz	compiling with mpi and c++ -> set CXX to MPICC (as...	commit \| commitdiff \| tree
2009-12-01	Roland Schulz	union instead of two pointers to same address (brakes...	commit \| commitdiff \| tree
2009-12-01	Roland Schulz	file ended twice in Makefile by merge	commit \| commitdiff \| tree
2009-12-01	Roland Schulz	Merge branch '2dpme' of git@git.gromacs.org:gromacs...	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	a few more ffopen/ffclose fixes	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	C++ style comments -> C	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	close all files with ffclose which are opened with...	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	full license text for vmd files	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	added missing include files	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	reorganized so that it is easier to use vmdplugins...	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	fix of error introduced by me doing C++ fixes	commit \| commitdiff \| tree
2009-11-30	Roland Schulz	is file still needed? (if so it also has to be in Makefile)	commit \| commitdiff \| tree
2009-11-28	Roland Schulz	C++ Fixes for -with-x11 -enable-mpi	commit \| commitdiff \| tree
2009-11-27	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-27	Roland Schulz	More C++ fixes (const char), some formating	commit \| commitdiff \| tree
2009-11-27	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-27	Roland Schulz	More C++ fixes 2/2: header files were not included...	commit \| commitdiff \| tree
2009-11-27	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-27	Roland Schulz	C++ fixes part2; extern C fixes in header files a*...	commit \| commitdiff \| tree
2009-11-27	Roland Schulz	fix to vmdplugin	commit \| commitdiff \| tree
2009-11-26	Roland Schulz	c++ fixes, mainly const char	commit \| commitdiff \| tree
2009-11-26	Roland Schulz	only allow any file extension for reading of trajectories	commit \| commitdiff \| tree
2009-11-26	Roland Schulz	Added VMD molfile plugin support to the analysis tools.	commit \| commitdiff \| tree
2009-11-23	Roland Schulz	fixed md5 locking, removed misleading error message	commit \| commitdiff \| tree
2009-11-12	spoel	Removed strange characters.	commit \| commitdiff \| tree
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