Public Git Hosting - gromacs.git/search

2016-05-12	Mark Abraham	GROMACS 2016 beta1 release	commit \| commitdiff \| tree
2016-05-12	Vedran Miletić	Remove static function qualifier in OpenCL kernel utils	commit \| commitdiff \| tree
2016-05-10	Teemu Murtola	Additional Jenkins documentation	commit \| commitdiff \| tree
2016-05-10	Mark Abraham	Bump clang static analyzer to version 3.8	commit \| commitdiff \| tree
2016-05-10	Teemu Murtola	Include releng documentation to developer guide	commit \| commitdiff \| tree
2016-05-10	Erik Lindahl	Fix precision loss in tabulated normal distribution	commit \| commitdiff \| tree
2016-05-10	Mark Abraham	Facilitate linking with libcxx	commit \| commitdiff \| tree
2016-05-10	Erik Lindahl	Flush streams when not writing newline character	commit \| commitdiff \| tree
2016-05-10	Berk Hess	Optimized the vsite threading	commit \| commitdiff \| tree
2016-05-10	Roland Schulz	Add OpenMP for functions limiting scaling	commit \| commitdiff \| tree
2016-05-08	Mark Abraham	Fixes for clang 3.7 on PowerPC	commit \| commitdiff \| tree
2016-05-08	James W. Barnett	Correct and clarify output units for fluct_props	commit \| commitdiff \| tree
2016-05-08	Erik Lindahl	Fix Luzar/Chander literature reference in g_hbond	commit \| commitdiff \| tree
2016-05-08	David van der Spoel	Modify lmfit library to avoid clashes with other versions.	commit \| commitdiff \| tree
2016-04-28	Teemu Murtola	Use HardwareTopology to set nthreads_hw_avail	commit \| commitdiff \| tree
2016-04-28	Teemu Murtola	Remove gmx_hw_info_t::ncore	commit \| commitdiff \| tree
2016-04-28	Szilárd Páll	Workaround for gcc false positive warning	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Improve release workflow testing	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Disable multiple ranks for non-MPI unit tests	commit \| commitdiff \| tree
2016-04-27	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-04-27	Szilárd Páll	Fix multiple MPI ranks per node with OpenCL	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Fix issues with failing thread affinity setting	commit \| commitdiff \| tree
2016-04-19	Roland Schulz	Fix numerically unstable selection test	commit \| commitdiff \| tree
2016-04-19	Szilárd Páll	Move out CUDA profiler triggers from NBNXN	commit \| commitdiff \| tree
2016-04-19	Berk Hess	Allow rcoulomb>rvdw with PME	commit \| commitdiff \| tree
2016-04-19	Mark Abraham	Replace libxml2 with tinyxml2 for use in test code	commit \| commitdiff \| tree
2016-04-19	Roland Schulz	Tune nstlist increase for KNL	commit \| commitdiff \| tree
2016-04-19	Mark Abraham	Fix parse_digits_from_string	commit \| commitdiff \| tree
2016-04-19	Berk Hess	Broadcast pull external potential provider string	commit \| commitdiff \| tree
2016-04-19	Mark Abraham	Fix mdp label generation	commit \| commitdiff \| tree
2016-04-19	Berk Hess	Fix gmx hbond group overlap check	commit \| commitdiff \| tree
2016-04-14	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-04-14	Carsten Kutzner	Corrected value of electric conversion factor f in...	commit \| commitdiff \| tree
2016-04-06	Roland Schulz	AVX512 transposeScatterIncr/DecrU with load/store	commit \| commitdiff \| tree
2016-04-04	Erik Lindahl	Fix compile error for IBM VMX on ppc64	commit \| commitdiff \| tree
2016-04-04	Erik Lindahl	Fix SIMD detection on new AMD AVX CPUs w/o fma	commit \| commitdiff \| tree
2016-04-03	Erik Lindahl	Fix unit test segfaults with gcc-6.0	commit \| commitdiff \| tree
2016-04-03	Erik Lindahl	Fix incorrect return type for scalar version of simd...	commit \| commitdiff \| tree
2016-04-03	Semen Yesylevskyy	Added references to ProtSqueeze and g_membed to the...	commit \| commitdiff \| tree
2016-04-02	Roland Schulz	Fix coolquotes	commit \| commitdiff \| tree
2016-04-01	Mark Abraham	Revert to treating -1 as "generate a seed" in .mdp	commit \| commitdiff \| tree
2016-03-31	Berk Hess	Add option for external pull potential	commit \| commitdiff \| tree
2016-03-31	James W. Barnett	Revert behavior for handling SETTLE errors	commit \| commitdiff \| tree
2016-03-31	Szilárd Páll	refactor CUDA texture-based table initialization	commit \| commitdiff \| tree
2016-03-31	Szilard Pall	avoid CPU oversubscription with GPUs	commit \| commitdiff \| tree
2016-03-30	Szilárd Páll	LJ combination rule kernels for OpenCL	commit \| commitdiff \| tree
2016-03-30	Szilárd Páll	Re-enable i-atom type local mem prefetch in OpenCL	commit \| commitdiff \| tree
2016-03-30	Berk Hess	Correct mdrun tMPI (non-)parallel error message	commit \| commitdiff \| tree
2016-03-30	Teemu Murtola	Make includesorter.py work with Doxygen 1.8.10+	commit \| commitdiff \| tree
2016-03-30	Szilárd Páll	Describe AMD APPSDK 3.0 issues in the guide	commit \| commitdiff \| tree
2016-03-30	Teemu Murtola	Fix error reporting for documentation build	commit \| commitdiff \| tree
2016-03-30	Mark Abraham	Clean up vsite code	commit \| commitdiff \| tree
2016-03-22	Carsten Kutzner	Clean-up code for swapcoords.	commit \| commitdiff \| tree
2016-03-22	Berk Hess	LJ combination rule kernels for CUDA	commit \| commitdiff \| tree
2016-03-19	Mark Abraham	Add more const correctness	commit \| commitdiff \| tree
2016-03-19	Mark Abraham	Improved some mdrun integration tests	commit \| commitdiff \| tree
2016-03-18	Mark Abraham	Warn about OpenMPI 1.8.6	commit \| commitdiff \| tree
2016-03-18	Berk Hess	Fix non-normalization of FFT autocorr	commit \| commitdiff \| tree
2016-03-18	Mark Abraham	Fix typo in Fourier dihedral equation	commit \| commitdiff \| tree
2016-03-18	Viveca Lindahl	Added pull coordinate geometry angle.	commit \| commitdiff \| tree
2016-03-18	David van der Spoel	Fixed division by zero in polarize.	commit \| commitdiff \| tree
2016-03-18	Nicholas Breen	Various minor spelling fixes - messages and code comments...	commit \| commitdiff \| tree
2016-03-17	Carsten Kutzner	Fix membed initialization	commit \| commitdiff \| tree
2016-03-15	Mark Abraham	Merge branch release-5-0 into release-5-1	commit \| commitdiff \| tree
2016-03-11	Mark Abraham	Merge branch release-5-0 into release-5-1	commit \| commitdiff \| tree
2016-03-10	Mark Abraham	Require 2015 version for MSVC	commit \| commitdiff \| tree
2016-02-27	Berk Hess	Remove epsfac from GPU kernel inner-loops	commit \| commitdiff \| tree
2016-02-23	Mark Abraham	Replace cppcheck suppression in checkpoint code	commit \| commitdiff \| tree
2016-02-16	Mark Abraham	Merge branch release-5-0 into release-5-1	commit \| commitdiff \| tree
2016-02-14	Mark Abraham	Re-generated eps for figure 4.8	commit \| commitdiff \| tree
2016-02-10	Mark Abraham	Re-remove *_stochd_state function declarations	commit \| commitdiff \| tree
2016-02-10	Erik Lindahl	Scalar functions mimicking the SIMD interface	commit \| commitdiff \| tree
2016-02-08	Mark Abraham	Merge branch release-5-0 into release-5-1	commit \| commitdiff \| tree
2016-02-06	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-02-03	Mark Abraham	Bumped patch number to prepare for future 5.1.3 release	commit \| commitdiff \| tree
2016-02-03	Mark Abraham	Version 5.1.2	commit \| commitdiff \| tree
2016-02-03	Mark Abraham	Merge release-5-0 into release-5-1	commit \| commitdiff \| tree
2016-01-28	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-01-28	Mark Abraham	Avoid FP exception	commit \| commitdiff \| tree
2016-01-27	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-01-27	Mark Abraham	Remove bNotLastFrame	commit \| commitdiff \| tree
2016-01-26	Mark Abraham	Fix default for GMX_USE_NVML	commit \| commitdiff \| tree
2016-01-25	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-01-12	Mark Abraham	Merge branch release-5-0 into release-5-1	commit \| commitdiff \| tree
2016-01-08	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-01-07	Mark Abraham	Fix some mdrun header dependencies	commit \| commitdiff \| tree
2016-01-07	Mark Abraham	Avoid more C++ bindings for MPI	commit \| commitdiff \| tree
2016-01-07	Mark Abraham	Stop using UNDEFINED as name of a symbol	commit \| commitdiff \| tree
2016-01-07	Mark Abraham	Remove fields used only for SD2	commit \| commitdiff \| tree
2016-01-07	Mark Abraham	Backport md-vv fixes	commit \| commitdiff \| tree
2016-01-06	Mark Abraham	Fix spurious gcc warning	commit \| commitdiff \| tree
2015-12-29	Berk Hess	Correct vector check of gmx check	commit \| commitdiff \| tree
2015-12-29	Teemu Murtola	Packaging build script for web site	commit \| commitdiff \| tree
2015-12-28	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2015-12-27	Mark Abraham	Fix some OpenCL issues	commit \| commitdiff \| tree
2015-12-27	Berk Hess	Reorganized domdec initialization	commit \| commitdiff \| tree
2015-12-24	Mark Abraham	Shell code cleanup	commit \| commitdiff \| tree
2015-12-24	Erik Lindahl	IBM Power6 VMX extended SIMD	commit \| commitdiff \| tree
2015-12-17	Mark Abraham	Simplified energy-summation code	commit \| commitdiff \| tree
2015-12-16	Berk Hess	Add one element to state rvec arrays	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom