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

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2012-11-17	David van der Spoel	Merge "Added grompp warning" into release-4-6	commit \| commitdiff \| tree
2012-11-17	David van der Spoel	Merge "Remove rest of the xml support" into release-4-6	commit \| commitdiff \| tree
2012-11-17	Roland Schulz	Merge "Removing Zn and Ar non-OPLS atom types" into...	commit \| commitdiff \| tree
2012-11-16	Mark Abraham	Added grompp warning	commit \| commitdiff \| tree
2012-11-16	David van der Spoel	Merge "Removes unused files" into release-4-6	commit \| commitdiff \| tree
2012-11-16	Berk Hess	reduced the cost of the nbnxn OpenMP nb-force reduction	commit \| commitdiff \| tree
2012-11-15	Christoph Junghans	Merge "Test that compiling and linking of AVX works...	commit \| commitdiff \| tree
2012-11-15	Roland Schulz	Verify that FFTW can be used with shared libraries	commit \| commitdiff \| tree
2012-11-13	Erik Lindahl	Removed some unnecessary instructions, and fixed a...	commit \| commitdiff \| tree
2012-11-12	Roland Schulz	Allow to disable usage of rdtscp	commit \| commitdiff \| tree
2012-11-12	Roland Schulz	Merge "Backport ThreadMPI.cmake version from master...	commit \| commitdiff \| tree
2012-11-12	Roland Schulz	Merge "nbnxn CPU force buffer reduction now uses SIMD...	commit \| commitdiff \| tree
2012-11-12	Roland Schulz	Backport ThreadMPI.cmake version from master	commit \| commitdiff \| tree
2012-11-12	David van der Spoel	Fixes #1020 options in g_enemat	commit \| commitdiff \| tree
2012-11-10	Roland Schulz	Merge "Fix broken manual formatting" into release-4-6	commit \| commitdiff \| tree
2012-11-09	Kasson	Merge "only use CPU_COUNT if it's available" into release-4-6	commit \| commitdiff \| tree
2012-11-08	Roland Schulz	Merge "Fixed bug in the new switch-modified interactions...	commit \| commitdiff \| tree
2012-11-08	Christoph Junghans	Merge "auto-set nvcc host compiler with FindMPI detection...	commit \| commitdiff \| tree
2012-11-08	Christoph Junghans	Merge "Relocated logic of simple-vs-GPU Ewald table...	commit \| commitdiff \| tree
2012-11-08	Mark Abraham	Relocated logic of simple-vs-GPU Ewald table generation	commit \| commitdiff \| tree
2012-11-07	Christoph Junghans	Obey DSO standard	commit \| commitdiff \| tree
2012-11-07	Szilard Pall	detect externally set CPU affinity	commit \| commitdiff \| tree
2012-11-06	Roland Schulz	Fix cmake error if compiler starts with blank line	commit \| commitdiff \| tree
2012-11-06	Roland Schulz	Merge "Clarification of mdp_opt, add nstexpand defaults...	commit \| commitdiff \| tree
2012-11-06	Berk Hess	Merge "Add option to install libcudart" into release-4-6	commit \| commitdiff \| tree
2012-11-06	Michael Shirts	Clarification of mdp_opt, add nstexpand defaults &...	commit \| commitdiff \| tree
2012-11-06	Berk Hess	Merge "don't execute any mpi_info/mpiname in the path...	commit \| commitdiff \| tree
2012-11-05	Berk Hess	Merge "updated several things related with OpenMP thread...	commit \| commitdiff \| tree
2012-11-03	Christoph Junghans	Reworked version of cmake FFTW detection	commit \| commitdiff \| tree
2012-11-02	Roland Schulz	Merge all License/COPYING files into one and install it	commit \| commitdiff \| tree
2012-11-01	Roland Schulz	Fix DEB/RPM cpack generation	commit \| commitdiff \| tree
2012-10-31	Szilard Pall	fix internal/external OpenMP thread affinity clash	commit \| commitdiff \| tree
2012-10-30	Roland Schulz	Fix that no OpenMP flags are used with GMX_OPENMP=no	commit \| commitdiff \| tree
2012-10-27	Christoph Junghans	Merge "Fix large file support" into release-4-5-patches	commit \| commitdiff \| tree
2012-10-26	Roland Schulz	Fix usage of CMAKE_REQUIRED_*	commit \| commitdiff \| tree
2012-10-26	Roland Schulz	Merge "fixed incorrect PME load balancing limitation...	commit \| commitdiff \| tree
2012-10-26	Christoph Junghans	Merge "enable GMX_PREFER_STATIC_LIBS CMake option on...	commit \| commitdiff \| tree
2012-10-26	Christoph Junghans	Merge "fix false positive gcc 4.7 warning in libxdrf...	commit \| commitdiff \| tree
2012-10-26	David van der Spoel	Merge "Fixed Pulp Fiction quote" into release-4-5-patches	commit \| commitdiff \| tree
2012-10-26	Roland Schulz	Merge "set the default for nstdhdl to 100" into release-4-6	commit \| commitdiff \| tree
2012-10-25	Roland Schulz	Merge "fix CUDA non-bonded kernel pointer assignment...	commit \| commitdiff \| tree
2012-10-24	Szilárd Páll	enable GMX_PREFER_STATIC_LIBS CMake option on Mac OS X	commit \| commitdiff \| tree
2012-10-23	Berk Hess	fixed bondfree.c thread safety with free energy	commit \| commitdiff \| tree
2012-10-23	Roland Schulz	Merge "moved part of nbnxn_search.c to nbnxn_atomdata...	commit \| commitdiff \| tree
2012-10-23	Roland Schulz	Merge "fixed incorrect LJ energy with GPU and PME load...	commit \| commitdiff \| tree
2012-10-23	Berk Hess	moved part of nbnxn_search.c to nbnxn_atomdata.c	commit \| commitdiff \| tree
2012-10-23	Berk Hess	fixed incorrect LJ energy with GPU and PME load balancing	commit \| commitdiff \| tree
2012-10-23	Roland Schulz	Merge "added OpenMP parallelization for virtual sites...	commit \| commitdiff \| tree
2012-10-22	Berk Hess	added OpenMP parallelization for virtual sites	commit \| commitdiff \| tree
2012-10-22	Szilard Pall	fix CUDA non-bonded kernel pointer assignment	commit \| commitdiff \| tree
2012-10-22	Roland Schulz	Fix minor OpenMP issue for md-vv update	commit \| commitdiff \| tree
2012-10-19	Roland Schulz	Merge "[tools] Allow g_dist to use default index group...	commit \| commitdiff \| tree
2012-10-19	Kasson	Merge "renamed constraint variables rmdr to vir_r_m_dr...	commit \| commitdiff \| tree
2012-10-19	Roland Schulz	Merge "renamed pme_switch... to pme_loadbal..." into...	commit \| commitdiff \| tree
2012-10-18	Roland Schulz	Merge "Added thread affinity API to thread_mpi." into...	commit \| commitdiff \| tree
2012-10-18	Berk Hess	added OpenMP parallelization to LINCS projection	commit \| commitdiff \| tree
2012-10-17	Kasson	Merge "Make Gromacs compile without C++ compiler" into...	commit \| commitdiff \| tree
2012-10-16	Roland Schulz	Merge "made pair-search with GPU 20% faster" into release-4-6	commit \| commitdiff \| tree
2012-10-13	David van der Spoel	Merge "Fixing issues with replica exchange" into release-4-6	commit \| commitdiff \| tree
2012-10-12	Berk Hess	Merge "Fix illegal barrier in worksharing" into release-4-6	commit \| commitdiff \| tree
2012-10-04	Berk Hess	fixed backward compatibility of tpr files with dihres	commit \| commitdiff \| tree
2012-10-03	Sander Pronk	Added two #defines that state the gromacs API + program...	commit \| commitdiff \| tree
2012-09-27	Christoph Junghans	Merge "Fixed an off-by-one error in atom counting in...	commit \| commitdiff \| tree
2012-09-27	Teemu Murtola	Merge "Fix insolidangle selections near poles." into...	commit \| commitdiff \| tree
2012-09-25	Christoph Junghans	Merge "Fix REMD use of gmx_large_int_t for #steps variable...	commit \| commitdiff \| tree
2012-09-24	Kasson	Merge "Fixed segfault with FE code for older tpr files...	commit \| commitdiff \| tree
2012-09-15	Kasson	Merge "Fix some memory leaks." into release-4-5-patches	commit \| commitdiff \| tree
2012-09-15	David van der Spoel	Merge "Adapted NMR related data to new pdb format....	commit \| commitdiff \| tree
2012-09-14	Christoph Junghans	Merge "fixed recent bug with grompp check for P-R P...	commit \| commitdiff \| tree
2012-09-12	Mark Abraham	Merge "Don't fail linking if man page building fails...	commit \| commitdiff \| tree
2012-09-10	Roland Schulz	Merge "Update use of CPack components and add install...	commit \| commitdiff \| tree
2012-09-07	Christoph Junghans	Merge "Fix VMD plugins on Windows" into release-4-6	commit \| commitdiff \| tree
2012-09-07	Christoph Junghans	Merge "Check that gmx_detectcpu runs correctly" into...	commit \| commitdiff \| tree
2012-09-06	Roland Schulz	Merge "Fixed .g96 trajectory reading." into release...	commit \| commitdiff \| tree
2012-09-04	Christoph Junghans	Merge "Fixes too many backup files for *.nroff files...	commit \| commitdiff \| tree
2012-09-03	Kasson	Merge "Document correct comm_mode option" into release...	commit \| commitdiff \| tree
2012-09-03	Kasson	Merge "Improved pdb2gmx output" into release-4-5-patches	commit \| commitdiff \| tree
2012-08-20	Christoph Junghans	Merge "Fixing of things associated with aminoacid.rtp...	commit \| commitdiff \| tree
2012-08-20	Christoph Junghans	Merge "Clean up some variable naming for eigensolving...	commit \| commitdiff \| tree
2012-08-20	Christoph Junghans	Merge "Fix coordinate is zero check in gmxcheck" into...	commit \| commitdiff \| tree
2012-08-20	Christoph Junghans	Merge "Explicitly noted an issue with use of genbox...	commit \| commitdiff \| tree
2012-08-18	Roland Schulz	Merge "fix AdResS and long-range electrostatics warning...	commit \| commitdiff \| tree
2012-08-11	Mark Abraham	Clean up some variable naming for eigensolving	commit \| commitdiff \| tree
2012-08-11	Roland Schulz	Make GCC OpenMP libraries static if GMX_PREFER_STATIC_OPENMP	commit \| commitdiff \| tree
2012-08-11	Roland Schulz	Guarantee OpenMP flags for linker and make them user...	commit \| commitdiff \| tree
2012-08-07	Christoph Junghans	Merge "fixed incorrect TPI results with dynamic box...	commit \| commitdiff \| tree
2012-08-06	Christoph Junghans	Merge "Added comment in get_structure about which structures...	commit \| commitdiff \| tree
2012-08-04	Roland Schulz	Merge "Fixed segv in essential dynamics module" into...	commit \| commitdiff \| tree
2012-07-31	Christoph Junghans	Merge "Clarified reasons for termination of EM" into...	commit \| commitdiff \| tree
2012-07-26	Roland Schulz	Fix that VMD version check was performed for binary...	commit \| commitdiff \| tree
2012-07-25	Roland Schulz	Merge "cmake: allow switch between single and double...	commit \| commitdiff \| tree
2012-07-25	Roland Schulz	Merge "fix a segfault in sse_mask_init" into release-4-6	commit \| commitdiff \| tree
2012-07-16	Christoph Junghans	Merge "Removed commas from gmx_hbond OpenMP constructs...	commit \| commitdiff \| tree
2012-07-16	Christoph Junghans	Merge "Enforced rotation: PBC/restart fix" into release-4-6	commit \| commitdiff \| tree
2012-07-15	Roland Schulz	Take first description if programs.txt has more than...	commit \| commitdiff \| tree
2012-07-15	David van der Spoel	Merge "Autogenerate gromacs.7 from programs.txt" into...	commit \| commitdiff \| tree
2012-07-15	Roland Schulz	Adding missing entries in programs.txt	commit \| commitdiff \| tree
2012-07-09	Christoph Junghans	Merge "Fixed bug in sfactor.c that makes g_rdf -sq...	commit \| commitdiff \| tree
2012-07-06	Carsten Kutzner	Enforced rotation: PBC/restart fix	commit \| commitdiff \| tree
2012-07-06	Roland Schulz	Don't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS	commit \| commitdiff \| tree
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