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

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

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
2014-06-21	Vedran Miletić	Use ${CMAKE_INSTALL_LIBDIR} as lib directory for tng_io...	commit \| commitdiff \| tree
2014-06-20	Rossen Apostolov	Removed unused parameters and cleanup of inputrec.	commit \| commitdiff \| tree
2014-06-19	Rossen Apostolov	Small typos in surface tension description.	commit \| commitdiff \| tree
2014-06-19	Magnus Lundborg	Bumped the TNG library to the latest version.	commit \| commitdiff \| tree
2014-06-18	Rossen Apostolov	Added reference to cmap in pdb2gmx.	commit \| commitdiff \| tree
2014-06-18	Mark Abraham	Made mdrun warn when generic kernels are used	commit \| commitdiff \| tree
2014-06-14	Rossen Apostolov	Added tip5pe water model to oplsa.	commit \| commitdiff \| tree
2014-06-13	Roland Schulz	Make nbnxn template and generated files match	commit \| commitdiff \| tree
2014-06-11	Berk Hess	Decoupled repl_ex_nst from nstcalcenergy	commit \| commitdiff \| tree
2014-06-09	Rossen Apostolov	Install libraries in correct directories on multiarch...	commit \| commitdiff \| tree
2014-06-09	Berk Hess	Set make_ndx max name length and count to 1024	commit \| commitdiff \| tree
2014-06-09	Erik Lindahl	Fixed the output format of g_principal	commit \| commitdiff \| tree
2014-06-09	Erik Lindahl	Modify single/double EPS to agree with ISO C	commit \| commitdiff \| tree
2014-06-07	Erik Lindahl	Added package version to tng_io CMakelists.txt	commit \| commitdiff \| tree
2014-06-05	Berk Hess	Fix constraint virial with multiple time stepping	commit \| commitdiff \| tree
2014-06-05	Mark Abraham	New quotes	commit \| commitdiff \| tree
2014-06-04	Rossen Apostolov	Updated C-/N-terminal partial charges in Amber03.ff.	commit \| commitdiff \| tree
2014-06-03	Mark Abraham	Use RNG correctly for v-rescale thermostat	commit \| commitdiff \| tree
2014-06-01	Szilárd Páll	Add quote on the kT-kj/mol conversion factor	commit \| commitdiff \| tree
2014-06-01	Erik Lindahl	Fixed typo in manual	commit \| commitdiff \| tree
2014-05-31	David van der Spoel	Permit trjconv to read and write velocities with TNG...	commit \| commitdiff \| tree
2014-05-30	Mark Abraham	Finalize change from GMX_CPU_ACCELERATION to GMX_SIMD	commit \| commitdiff \| tree
2014-05-24	Rossen Apostolov	Simplified section "Porting".	commit \| commitdiff \| tree
2014-05-22	Rossen Apostolov	Normal modes don't work currently with virtual sites...	commit \| commitdiff \| tree
2014-05-22	Teemu Murtola	Fix static group list indices in selection prompt	commit \| commitdiff \| tree
2014-05-22	Berk Hess	Avoid energy drift with verlet-buffer-tolerance	commit \| commitdiff \| tree
2014-05-22	Mark Abraham	Add fatal errors for VV and twin-range MTS	commit \| commitdiff \| tree
2014-05-22	Mark Abraham	Clarified docs for use of mdrun -nstlist	commit \| commitdiff \| tree
2014-05-20	Justin Lemkul	Improvements to the g_lie help description.	commit \| commitdiff \| tree
2014-05-20	Rossen Apostolov	Added a note about using direction-periodic pulling.	commit \| commitdiff \| tree
2014-05-20	Rossen Apostolov	Added a note about unsupported Verlet cutoff + Buckingham.	commit \| commitdiff \| tree
2014-05-20	Mark Abraham	Add note about correct calling of wallcycle counter	commit \| commitdiff \| tree
2014-05-18	Mark Abraham	Fix indenting of .tpr parameter dump in mdrun log file	commit \| commitdiff \| tree
2014-05-09	Alexey Shvetsov	Fix clang 3.5 warnings regarding abs	commit \| commitdiff \| tree
2014-05-09	Berk Hess	Minor tweaks to the DD setup	commit \| commitdiff \| tree
2014-05-09	Roland Schulz	Fix comparison of array to NULL	commit \| commitdiff \| tree
2014-05-09	Roland Schulz	Merge "Merge branch release-4-6 into release-5-0" into...	commit \| commitdiff \| tree
2014-05-09	Roland Schulz	Fix OpenMP scope error	commit \| commitdiff \| tree
2014-04-29	Berk Hess	Removed truncation of nrdf in v-rescale thermostat	commit \| commitdiff \| tree
2014-04-24	Magnus Lundborg	More efficient TNG selection group creation	commit \| commitdiff \| tree
2014-04-23	Berk Hess	Fixed nbnxn FE list allocation issue	commit \| commitdiff \| tree
2014-04-21	Michael Shirts	Issue warnings for potential switch w/o defining switch...	commit \| commitdiff \| tree
2014-04-16	Magnus Lundborg	Fixed bug inverting compression precision.	commit \| commitdiff \| tree
2014-04-16	Mark Abraham	Fix and simplify version matching for running tests	commit \| commitdiff \| tree
2014-04-07	Mark Abraham	Fix invalid dereference in g_tune_pme	commit \| commitdiff \| tree
2014-04-07	Erik Lindahl	Make sure water optimization is disabled for esoteric...	commit \| commitdiff \| tree
2014-04-07	Teemu Murtola	Doxygen documentation for version.h	commit \| commitdiff \| tree
2014-04-03	Mark Abraham	Move string-parsing code to where it can be reused	commit \| commitdiff \| tree
2014-04-02	Roland Schulz	Add doc for spec. values of GMX_MAXBACKUP	commit \| commitdiff \| tree
2014-04-02	David van der Spoel	Removed possibility of compiling with GSL.	commit \| commitdiff \| tree
2014-04-02	Teemu Murtola	Move string2.* to utility/cstringutil.*	commit \| commitdiff \| tree
2014-04-02	Mark Abraham	Fixes for g_tune_pme for 5.0	commit \| commitdiff \| tree
2014-04-02	Mark Abraham	Fix bug accumulating nrank_pp_intranode on PME ranks	commit \| commitdiff \| tree
2014-04-02	Berk Hess	Added LJ-PME and LJ Pot-switch to PME load estimate	commit \| commitdiff \| tree
2014-04-02	Mark Abraham	Re-use gmx_greatest_common_divisor()	commit \| commitdiff \| tree
2014-04-01	Teemu Murtola	Move smalloc.h to utility/	commit \| commitdiff \| tree
2014-03-31	David van der Spoel	Fixed compilation issue in fgrid.cpp due to int/enum	commit \| commitdiff \| tree
2014-03-31	Mark Abraham	Remove quote	commit \| commitdiff \| tree
2014-03-31	Rossen Apostolov	Added CMake support for Extrae.	commit \| commitdiff \| tree
2014-03-31	Teemu Murtola	Clean up smalloc.h	commit \| commitdiff \| tree
2014-03-31	Carsten Kutzner	Fix documentation of swap/enums.h	commit \| commitdiff \| tree
2014-03-31	Roland Schulz	Disable shared libraries by default for mdrun-only	commit \| commitdiff \| tree
2014-03-31	Teemu Murtola	Remove dependency on commandline/ from oenv.cpp	commit \| commitdiff \| tree
2014-03-29	Christian Wennberg	Free-energy support for LJ-PME	commit \| commitdiff \| tree
2014-03-29	Teemu Murtola	Optimize intermodule dependencies	commit \| commitdiff \| tree
2014-03-29	Teemu Murtola	Improve version information handling	commit \| commitdiff \| tree
2014-03-29	Teemu Murtola	Better include dependency graph generator	commit \| commitdiff \| tree
2014-03-28	Carsten Kutzner	Fix documentation issues for interactive MD module.	commit \| commitdiff \| tree
2014-03-28	Christian Wennberg	New VDW kernel flavour for LJ-PME and updated group...	commit \| commitdiff \| tree
2014-03-26	Daniel Landau	Add Cray compiler support	commit \| commitdiff \| tree
2014-03-26	Carsten Kutzner	Documentation house-keeping in file swapcoords.c	commit \| commitdiff \| tree
2014-03-26	Martin Hoefling	Interactive Molecular Dynamics (IMD)	commit \| commitdiff \| tree
2014-03-23	Mark Abraham	Keep CMake quiet about non-detection of optional stuff	commit \| commitdiff \| tree
2014-03-23	Berk Hess	Fixed bug in parallel v/f constraining	commit \| commitdiff \| tree
2014-03-23	Berk Hess	CUDA cut-off kernels now shift exclusion energies	commit \| commitdiff \| tree
2014-03-23	Mark Abraham	Fix print_date_and_time	commit \| commitdiff \| tree
2014-03-18	Roland Schulz	Fix dependencies on config.h for typedefs.h	commit \| commitdiff \| tree
2014-03-18	Christian Wennberg	Bugfix in LJ-PME without electrostatics	commit \| commitdiff \| tree
2014-03-18	Mark Abraham	Removed more stuff related to gmx.ff and gmx2.ff	commit \| commitdiff \| tree
2014-03-18	Teemu Murtola	Remove interactive help from core selection parser	commit \| commitdiff \| tree
2014-03-18	Teemu Murtola	Improve interactive selection input	commit \| commitdiff \| tree
2014-03-17	Rossen Apostolov	Cleaned up endif/else-s in CMakeLists.txt and *.cmake...	commit \| commitdiff \| tree
2014-03-17	Mark Abraham	Merge "Merge branch release-4-6"	commit \| commitdiff \| tree
2014-03-17	Mark Abraham	Fix perturbation to Verlet scheme when not perturbing	commit \| commitdiff \| tree
2014-03-14	Carsten Kutzner	Avoid cross product with zero vector in rotational...	commit \| commitdiff \| tree
2014-03-11	Mark Abraham	Fix MKL linking	commit \| commitdiff \| tree
2014-03-11	Mark Abraham	Avoid array-bounds warnings with gcc 4.8.2	commit \| commitdiff \| tree
2014-03-11	Roland Schulz	Simplify gmxTestLibXml2	commit \| commitdiff \| tree
2014-03-11	Berk Hess	PME load balancing now works with LJ-PME	commit \| commitdiff \| tree
2014-03-11	Teemu Murtola	Fix misc. Doxygen issues	commit \| commitdiff \| tree
2014-03-11	Roland Schulz	Fix CheckCXXCompilerFlag	commit \| commitdiff \| tree
2014-03-11	Szilárd Páll	Bump required CUDA version to 4.0	commit \| commitdiff \| tree
2014-03-11	Roland Schulz	Replace inline with gmx_inline	commit \| commitdiff \| tree
2014-03-10	Mark Abraham	Fix dependency on swapcoords enums	commit \| commitdiff \| tree
2014-03-06	Roland Schulz	Remove KERNEL_WIDTH	commit \| commitdiff \| tree
next

Local GROMACS mirror with custom stuff

RSS Atom