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

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

2012-10-22	Szilard Pall	fix CUDA non-bonded kernel pointer assignment	commit \| commitdiff \| tree \| snapshot
2012-10-22	Roland Schulz	Fix clang 3.2 unintialized variable warnings	commit \| commitdiff \| tree \| snapshot
2012-10-19	Roland Schulz	Merge "[tools] Allow g_dist to use default index group...	commit \| commitdiff \| tree \| snapshot
2012-10-19	Kasson	Merge "renamed constraint variables rmdr to vir_r_m_dr...	commit \| commitdiff \| tree \| snapshot
2012-10-19	Roland Schulz	Merge "renamed pme_switch... to pme_loadbal..." into...	commit \| commitdiff \| tree \| snapshot
2012-10-18	Roland Schulz	Merge "Added thread affinity API to thread_mpi." into...	commit \| commitdiff \| tree \| snapshot
2012-10-18	Berk Hess	renamed constraint variables rmdr to vir_r_m_dr	commit \| commitdiff \| tree \| snapshot
2012-10-18	Berk Hess	added OpenMP parallelization to LINCS projection	commit \| commitdiff \| tree \| snapshot
2012-10-18	Alexey Shvetsov	[tools] Allow g_dist to use default index group	commit \| commitdiff \| tree \| snapshot
2012-10-17	Berk Hess	renamed pme_switch... to pme_loadbal...	commit \| commitdiff \| tree \| snapshot
2012-10-17	Kasson	Merge "Make Gromacs compile without C++ compiler" into...	commit \| commitdiff \| tree \| snapshot
2012-10-16	Roland Schulz	Merge "made pair-search with GPU 20% faster" into relea...	commit \| commitdiff \| tree \| snapshot
2012-10-16	Carsten Kutzner	Made g_tune_pme read (ns/day) from 4.6 md.log output...	commit \| commitdiff \| tree \| snapshot
2012-10-16	Berk Hess	made pair-search with GPU 20% faster	commit \| commitdiff \| tree \| snapshot
2012-10-15	Sander Pronk	Added thread affinity API to thread_mpi.	commit \| commitdiff \| tree \| snapshot
2012-10-13	David van der...	Merge "Fixing issues with replica exchange" into releas...	commit \| commitdiff \| tree \| snapshot
2012-10-13	Mark Abraham	Fixed install-xxx functionality broken in 9628e27d	commit \| commitdiff \| tree \| snapshot
2012-10-12	Berk Hess	Merge "Fix illegal barrier in worksharing" into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-10-12	Roland Schulz	Fix illegal barrier in worksharing	commit \| commitdiff \| tree \| snapshot
2012-10-12	Michael Shirts	Fixing issues with replica exchange	commit \| commitdiff \| tree \| snapshot
2012-10-10	Christoph Junghans	fixed header for 3rd party apps	commit \| commitdiff \| tree \| snapshot
2012-10-10	Roland Schulz	Make Gromacs compile without C++ compiler	commit \| commitdiff \| tree \| snapshot
2012-10-08	Berk Hess	made non-bonded potential shifts mdp options	commit \| commitdiff \| tree \| snapshot
2012-10-06	Roland Schulz	Fix incorrect free	commit \| commitdiff \| tree \| snapshot
2012-10-04	Berk Hess	fixed backward compatibility of tpr files with dihres	commit \| commitdiff \| tree \| snapshot
2012-10-03	Sander Pronk	Added two #defines that state the gromacs API + program...	commit \| commitdiff \| tree \| snapshot
2012-10-03	Berk Hess	improved the energy conservation with SETTLE	commit \| commitdiff \| tree \| snapshot
2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	commit \| commitdiff \| tree \| snapshot
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-09-30	Roland Schulz	Fix problems found by cppcheck 1.56	commit \| commitdiff \| tree \| snapshot
2012-09-27	Christoph Junghans	Merge "Fixed an off-by-one error in atom counting in...	commit \| commitdiff \| tree \| snapshot
2012-09-27	Teemu Murtola	Merge "Fix insolidangle selections near poles." into...	commit \| commitdiff \| tree \| snapshot
2012-09-27	Sander Pronk	Fixed an off-by-one error in atom counting in gmx_dist.	commit \| commitdiff \| tree \| snapshot
2012-09-25	Christoph Junghans	Merge "Fix REMD use of gmx_large_int_t for #steps varia...	commit \| commitdiff \| tree \| snapshot
2012-09-24	Teemu Murtola	Add pdbname selection keyword.	commit \| commitdiff \| tree \| snapshot
2012-09-24	Kasson	Merge "Fixed segfault with FE code for older tpr files...	commit \| commitdiff \| tree \| snapshot
2012-09-24	Mark Abraham	Fix REMD use of gmx_large_int_t for #steps variable	commit \| commitdiff \| tree \| snapshot
2012-09-18	Teemu Murtola	Fixes for numeric and position selection variables.	commit \| commitdiff \| tree \| snapshot
2012-09-17	Mark Abraham	Made construction of parallel filenames less noisy	commit \| commitdiff \| tree \| snapshot
2012-09-16	Teemu Murtola	Fix insolidangle selections near poles.	commit \| commitdiff \| tree \| snapshot
2012-09-15	Kasson	Merge "Fix some memory leaks." into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2012-09-15	David van der...	Merge "Adapted NMR related data to new pdb format....	commit \| commitdiff \| tree \| snapshot
2012-09-14	Christoph Junghans	Merge "fixed recent bug with grompp check for P-R P...	commit \| commitdiff \| tree \| snapshot
2012-09-13	Berk Hess	fixed recent bug with grompp check for P-R P-coupling	commit \| commitdiff \| tree \| snapshot
2012-09-13	Roland Schulz	Backport of md-vv rerun check from c7a82654f2eb8992	commit \| commitdiff \| tree \| snapshot
2012-09-13	Sander Pronk	Fixed a deadlock in tMPI_Comm_free()	commit \| commitdiff \| tree \| snapshot
2012-09-13	Teemu Murtola	Fix some memory leaks.	commit \| commitdiff \| tree \| snapshot
2012-09-12	Roland Schulz	Set valid build information if gmx_detectcpu fails	commit \| commitdiff \| tree \| snapshot
2012-09-12	Mark Abraham	Merge "Don't fail linking if man page building fails...	commit \| commitdiff \| tree \| snapshot
2012-09-10	Christoph Junghans	updated references	commit \| commitdiff \| tree \| snapshot
2012-09-10	Roland Schulz	Merge "Update use of CPack components and add install...	commit \| commitdiff \| tree \| snapshot
2012-09-10	Mark Abraham	Corrected REMD citation	commit \| commitdiff \| tree \| snapshot
2012-09-07	Christoph Junghans	Merge "Fix VMD plugins on Windows" into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-09-07	Christoph Junghans	Merge "Check that gmx_detectcpu runs correctly" into...	commit \| commitdiff \| tree \| snapshot
2012-09-07	David van der...	Adapted NMR related data to new pdb format.	commit \| commitdiff \| tree \| snapshot
2012-09-06	Roland Schulz	Fix illegal call to MPI without being initialized	commit \| commitdiff \| tree \| snapshot
2012-09-06	Roland Schulz	Merge "Fixed .g96 trajectory reading." into release...	commit \| commitdiff \| tree \| snapshot
2012-09-06	Roland Schulz	Don't fail linking if man page building fails	commit \| commitdiff \| tree \| snapshot
2012-09-05	Roland Schulz	Check that gmx_detectcpu runs correctly	commit \| commitdiff \| tree \| snapshot
2012-09-05	Sander Pronk	Fixed an undefined return value in tMPI_Scan()	commit \| commitdiff \| tree \| snapshot
2012-09-04	Christoph Junghans	Merge "Fixes too many backup files for *.nroff files...	commit \| commitdiff \| tree \| snapshot
2012-09-04	David van der...	Made tutorial slightly less confusing.	commit \| commitdiff \| tree \| snapshot
2012-09-03	Sander Pronk	Fixed .g96 trajectory reading.	commit \| commitdiff \| tree \| snapshot
2012-09-03	Kasson	Merge "Document correct comm_mode option" into release...	commit \| commitdiff \| tree \| snapshot
2012-09-03	Kasson	Merge "Improved pdb2gmx output" into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-09-03	Roland Schulz	Fix VMD plugins on Windows	commit \| commitdiff \| tree \| snapshot
2012-09-02	Roland Schulz	Fix stack error in grompp	commit \| commitdiff \| tree \| snapshot
2012-08-31	Mark Abraham	Update use of CPack components and add install targets	commit \| commitdiff \| tree \| snapshot
2012-08-31	Mark Abraham	Improved pdb2gmx output	commit \| commitdiff \| tree \| snapshot
2012-08-30	Roland Schulz	Fixes too many backup files for *.nroff files	commit \| commitdiff \| tree \| snapshot
2012-08-29	Berk Hess	bug fix for pme.c MPI_COMM_NULL fix dcf8b67e	commit \| commitdiff \| tree \| snapshot
2012-08-28	Mark Abraham	Document correct comm_mode option	commit \| commitdiff \| tree \| snapshot
2012-08-23	Sander Pronk	Newer version of thread_mpi, with various fixes, includ...	commit \| commitdiff \| tree \| snapshot
2012-08-23	Sander Pronk	Fixed segfault with FE code for older tpr files.	commit \| commitdiff \| tree \| snapshot
2012-08-22	Bogdan Iorga	Added PGLU entry in aminoacids.n.tdb for OPLS-AA.	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Fixing of things associated with aminoacid.rtp...	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Clean up some variable naming for eigensolving...	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Fix coordinate is zero check in gmxcheck" into...	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Explicitly noted an issue with use of genbox...	commit \| commitdiff \| tree \| snapshot
2012-08-18	Roland Schulz	Merge "fix AdResS and long-range electrostatics warning...	commit \| commitdiff \| tree \| snapshot
2012-08-16	Roland Schulz	Fix coordinate is zero check in gmxcheck	commit \| commitdiff \| tree \| snapshot
2012-08-16	David van der...	Optional computation of fluct. props in g_energy. Fixes...	commit \| commitdiff \| tree \| snapshot
2012-08-14	Mark Abraham	Explicitly noted an issue with use of genbox -maxsol	commit \| commitdiff \| tree \| snapshot
2012-08-14	Mark Abraham	Don't silently accept genbox -nmol without -ci	commit \| commitdiff \| tree \| snapshot
2012-08-13	Christoph Junghans	fix AdResS and long-range electrostatics warning	commit \| commitdiff \| tree \| snapshot
2012-08-11	Mark Abraham	Clean up some variable naming for eigensolving	commit \| commitdiff \| tree \| snapshot
2012-08-11	Roland Schulz	Make GCC OpenMP libraries static if GMX_PREFER_STATIC_O...	commit \| commitdiff \| tree \| snapshot
2012-08-11	Roland Schulz	Guarantee OpenMP flags for linker and make them user...	commit \| commitdiff \| tree \| snapshot
2012-08-11	Mark Abraham	Fixing of things associated with aminoacid.rtp header	commit \| commitdiff \| tree \| snapshot
2012-08-10	Mark Abraham	Added TIP4P back into CHARMM27	commit \| commitdiff \| tree \| snapshot
2012-08-09	Berk Hess	fixed trjconv not writing velocities with cpt input	commit \| commitdiff \| tree \| snapshot
2012-08-07	Christoph Junghans	Merge "fixed incorrect TPI results with dynamic box...	commit \| commitdiff \| tree \| snapshot
2012-08-07	Carsten Kutzner	Fixed essential dynamics / flooding group PBC serial	commit \| commitdiff \| tree \| snapshot
2012-08-06	Berk Hess	fixed incorrect TPI results with dynamic box	commit \| commitdiff \| tree \| snapshot
2012-08-06	Christoph Junghans	Merge "Added comment in get_structure about which struc...	commit \| commitdiff \| tree \| snapshot
2012-08-06	Carsten Kutzner	Fixed calculation of projection for STAR and/or SORI	commit \| commitdiff \| tree \| snapshot
2012-08-06	Carsten Kutzner	Added comment in get_structure about which structures...	commit \| commitdiff \| tree \| snapshot
2012-08-05	Roland Schulz	Remove share/tutor	commit \| commitdiff \| tree \| snapshot
2012-08-04	Roland Schulz	Merge "Fixed segv in essential dynamics module" into...	commit \| commitdiff \| tree \| snapshot
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