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

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2014-02-13	Magnus Lundborg	Removed option to use OpenMP with the TNG library.	commit \| commitdiff \| tree
2014-02-12	Mark Abraham	Re-fix compiler warnings with scanner.cpp	commit \| commitdiff \| tree
2014-02-11	Mark Abraham	Split genbox into 'solvate' and 'insert-molecules'	commit \| commitdiff \| tree
2014-02-11	David van der Spoel	Fixed another vmdio issue.	commit \| commitdiff \| tree
2014-02-11	Erik Lindahl	First part of commit for redesigned SIMD module - namechanges.	commit \| commitdiff \| tree
2014-02-11	Magnus Lundborg	Added information about how to cite the TNG paper.	commit \| commitdiff \| tree
2014-02-09	Mark Abraham	Move orientation restraints checks inside init function	commit \| commitdiff \| tree
2014-02-09	Teemu Murtola	Refactor new help formatting implementation	commit \| commitdiff \| tree
2014-02-08	Mark Abraham	Clean up .log file dump of inputrec	commit \| commitdiff \| tree
2014-02-08	Teemu Murtola	Fix & update docs for GMX_TEST_OPTIONS	commit \| commitdiff \| tree
2014-02-07	Mark Abraham	Initialize inputrec better in genbox	commit \| commitdiff \| tree
2014-02-06	Teemu Murtola	Fix build of share/template when installed	commit \| commitdiff \| tree
2014-02-06	Michael Shirts	EE dhdl header should not specify one lambda	commit \| commitdiff \| tree
2014-02-06	Mark Abraham	Remove antiquated and unused gmxpar.tex documentation	commit \| commitdiff \| tree
2014-02-06	Roland Schulz	Use random seeds by default	commit \| commitdiff \| tree
2014-02-05	Mark Abraham	Update description of genrestr	commit \| commitdiff \| tree
2014-02-04	Roland Schulz	Fix and simplify rpath	commit \| commitdiff \| tree
2014-02-03	Mark Abraham	Clean up genbox and associated code	commit \| commitdiff \| tree
2014-02-03	Teemu Murtola	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree
2014-02-03	Teemu Murtola	Optimize Doxygen build	commit \| commitdiff \| tree
2014-02-03	Mark Abraham	Improved wallcycle reporting	commit \| commitdiff \| tree
2014-02-02	Teemu Murtola	Fix segfault in 'gmx -h'	commit \| commitdiff \| tree
2014-02-02	Teemu Murtola	Get rid of src/programs/gmx/	commit \| commitdiff \| tree
2014-02-02	Teemu Murtola	Simplify Options::setDescription() usage	commit \| commitdiff \| tree
2014-02-01	Teemu Murtola	Fix some issues reported by 'make depcheck doccheck'	commit \| commitdiff \| tree
2014-01-31	Teemu Murtola	Overview docs for unit testing	commit \| commitdiff \| tree
2014-01-30	Roland Schulz	Add cmake option for Reference kernel	commit \| commitdiff \| tree
2014-01-30	Mark Abraham	Minor improvements to ewald_LRcorrection	commit \| commitdiff \| tree
2014-01-30	Berk Hess	Made reference SIMD work again	commit \| commitdiff \| tree
2014-01-30	Teemu Murtola	Fix shell completions of ffMULT options	commit \| commitdiff \| tree
2014-01-30	Teemu Murtola	Refactor ProgramInfo use	commit \| commitdiff \| tree
2014-01-30	Rossen Apostolov	Removed ions.itp from GMX/share/top directory.	commit \| commitdiff \| tree
2014-01-30	Teemu Murtola	Move command listing to 'gmx help commands'	commit \| commitdiff \| tree
2014-01-30	Roland Schulz	Allocate memory for MD5 on heap	commit \| commitdiff \| tree
2014-01-29	Mark Abraham	Improved dependencies on maths includes	commit \| commitdiff \| tree
2014-01-29	Teemu Murtola	Fixes to filename shell completions	commit \| commitdiff \| tree
2014-01-29	Roland Schulz	Uncrustify all files	commit \| commitdiff \| tree
2014-01-29	Berk Hess	Automated Verlet rlist for NVE simulations	commit \| commitdiff \| tree
2014-01-29	Teemu Murtola	Merge "Merge branch 'release-4-6'"	commit \| commitdiff \| tree
2014-01-28	David van der Spoel	Moved random number generator code to separate dir.	commit \| commitdiff \| tree
2014-01-28	Carsten Kutzner	Allow for "computational electrophysiology" simulations...	commit \| commitdiff \| tree
2014-01-28	Christoph Junghans	cmake: added FFTW_URL to allow easy offline build	commit \| commitdiff \| tree
2014-01-28	Rossen Apostolov	Bump own fftw build to version 3.3.3	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Remove "gmx trjconv -app"	commit \| commitdiff \| tree
2014-01-28	Teemu Murtola	Shell completion export from the wrapper binary	commit \| commitdiff \| tree
2014-01-28	Mark Abraham	Unify logic for timing counts	commit \| commitdiff \| tree
2014-01-28	Szilárd Páll	clarified OpenMP-related things in mdrun help/man	commit \| commitdiff \| tree
2014-01-28	Teemu Murtola	Extend version information output	commit \| commitdiff \| tree
2014-01-27	Teemu Murtola	Simplify ProgramInfo	commit \| commitdiff \| tree
2014-01-23	Mark Abraham	Break dependency of fileio on tools	commit \| commitdiff \| tree
2014-01-22	Mark Abraham	Update libxml2 CMake detection	commit \| commitdiff \| tree
2014-01-21	Rossen Apostolov	Fixed wrong message when building own FFTW.	commit \| commitdiff \| tree
2014-01-21	Roland Schulz	Fix race conditions	commit \| commitdiff \| tree
2014-01-21	Mark Abraham	Ensure we don't #define constants before system headers	commit \| commitdiff \| tree
2014-01-21	Justin Lemkul	Added ASPP and GLUP to residuetypes.dat.	commit \| commitdiff \| tree
2014-01-21	Teemu Murtola	Improve file name option help	commit \| commitdiff \| tree
2014-01-20	Teemu Murtola	Rewrite help output from Options	commit \| commitdiff \| tree
2014-01-20	Mark Abraham	Fix .gitignore of some files	commit \| commitdiff \| tree
2014-01-19	Teemu Murtola	Fix installed headers	commit \| commitdiff \| tree
2014-01-19	Teemu Murtola	Move md5.* to fileio/	commit \| commitdiff \| tree
2014-01-19	Teemu Murtola	Move strdb.* to src/gromacs/fileio/	commit \| commitdiff \| tree
2014-01-19	Mark Abraham	Move dump, check and tpbconv utilities	commit \| commitdiff \| tree
2014-01-19	Roland Schulz	Fix that check_library_exist is rerun for FFTW	commit \| commitdiff \| tree
2014-01-18	David van der Spoel	This patch moves the statistics library to its own...	commit \| commitdiff \| tree
2014-01-17	Mark Abraham	Fix, simplify and test XTC writing	commit \| commitdiff \| tree
2014-01-17	David van der Spoel	This patch moves preprocessing headers to gmxpreprocess	commit \| commitdiff \| tree
2014-01-17	Roland Schulz	Define MPI_INT64_T if not defined by mpi	commit \| commitdiff \| tree
2014-01-17	Mark Abraham	Clean up inputrec reading	commit \| commitdiff \| tree
2014-01-16	Teemu Murtola	Fix build with GMX_BUILD_UNITTESTS=OFF	commit \| commitdiff \| tree
2014-01-15	Teemu Murtola	Support for 64-bit int and real valued Options	commit \| commitdiff \| tree
2014-01-15	Teemu Murtola	Remove unused PCA_KEEP_ARGS	commit \| commitdiff \| tree
2014-01-15	Roland Schulz	Add nbnxn tree force reduction	commit \| commitdiff \| tree
2014-01-15	Teemu Murtola	Simplify C array handling in C++ code	commit \| commitdiff \| tree
2014-01-15	David van der Spoel	This patch moves the nrama.[ch] to the gmxana dir.	commit \| commitdiff \| tree
2014-01-15	Teemu Murtola	Reorganize shared unit test code	commit \| commitdiff \| tree
2014-01-14	Mark Abraham	Stop doing cppcheck on src/external	commit \| commitdiff \| tree
2014-01-14	Teemu Murtola	Don't install links.dat	commit \| commitdiff \| tree
2014-01-14	Teemu Murtola	Split CommandLineHelpModule into a separate file	commit \| commitdiff \| tree
2014-01-14	Teemu Murtola	Fix line wrapping for long options	commit \| commitdiff \| tree
2014-01-14	Mark Abraham	Remove useless trjcat -prec option	commit \| commitdiff \| tree
2014-01-13	Carsten Kutzner	Move pull code to separate subdirectory	commit \| commitdiff \| tree
2014-01-13	Teemu Murtola	Move writeps.* into fileio/	commit \| commitdiff \| tree
2014-01-13	Teemu Murtola	Move gmxcomplex.h to gromacs/math/	commit \| commitdiff \| tree
2014-01-13	Mark Abraham	Fix mdrun integration tests	commit \| commitdiff \| tree
2014-01-13	Teemu Murtola	Fix installation of HTML manual	commit \| commitdiff \| tree
2014-01-13	David van der Spoel	Cleaned up list of GROMACS authors	commit \| commitdiff \| tree
2014-01-11	Carsten Kutzner	Move essential dynamics / flooding code to separate...	commit \| commitdiff \| tree
2014-01-10	Carsten Kutzner	Read essential dynamics data from checkpoint at correct...	commit \| commitdiff \| tree
2014-01-09	Jochen Hub	Fixed non-working flat-bottom posres code.	commit \| commitdiff \| tree
2014-01-09	David van der Spoel	Fixed precision in thermal expansion coefficient calc.	commit \| commitdiff \| tree
2014-01-09	Roland Schulz	Add SIMD support for Intel MIC	commit \| commitdiff \| tree
2014-01-09	Roland Schulz	Remove reimplimentation of two functions	commit \| commitdiff \| tree
2014-01-09	Roland Schulz	Remove some usage of SIZEOF*	commit \| commitdiff \| tree
2014-01-09	Teemu Murtola	Add messages for skipped tests in make check	commit \| commitdiff \| tree
2014-01-09	Teemu Murtola	Fix copyright check in admin/uncrustify.sh	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Remove unreachable fatal error	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Remove unused debug code	commit \| commitdiff \| tree
2014-01-08	Mark Abraham	Add helpful note about changed default behaviour	commit \| commitdiff \| tree
2014-01-08	Teemu Murtola	Move gmx_sort.* to src/gromacs/utility/	commit \| commitdiff \| tree
2014-01-07	Teemu Murtola	Move gstat.h to gmxana/	commit \| commitdiff \| tree
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