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2017-02-09	Mark Abraham	Remove EST_DISTR from state.h	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Enhance warninp	commit \| commitdiff \| tree
2017-02-08	Roland Schulz	AVX512: Use double-sized gather for pairs of floats	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Introduced system preparation section to user guide	commit \| commitdiff \| tree
2017-02-03	David van der Spoel	Fixes SEGV in gmx order.	commit \| commitdiff \| tree
2017-01-11	Roland Schulz	Tidy: modernize-use-nullptr	commit \| commitdiff \| tree
2016-11-03	Roland Schulz	Supress ICC 16 on Windows false postives	commit \| commitdiff \| tree
2016-10-30	Teemu Murtola	Support normalizing values in KeyValueTree	commit \| commitdiff \| tree
2016-10-30	Roland Schulz	Replace qsort/bsearch with std::sort/lower_bound	commit \| commitdiff \| tree
2016-10-11	Mark Abraham	Update for FFTW 3.3.5	commit \| commitdiff \| tree
2016-09-26	David van der Spoel	Fixes issue with Release build in correlation functions.	commit \| commitdiff \| tree
2016-09-18	Roland Schulz	Fix math-test false positive	commit \| commitdiff \| tree
2016-09-18	Roland Schulz	Better optimized ICC release flags	commit \| commitdiff \| tree
2016-09-12	Mark Abraham	Preliminary clean up of NVML code	commit \| commitdiff \| tree
2016-09-12	Berk Hess	Add const to thread-MPI functions	commit \| commitdiff \| tree
2016-09-12	Vedran Miletić	Document wallcycle counters and subcounters	commit \| commitdiff \| tree
2016-09-12	Teemu Murtola	Fix various memory leaks	commit \| commitdiff \| tree
2016-07-31	James Graham	Avoid blank line in writing index file	commit \| commitdiff \| tree
2016-07-30	Roland Schulz	Update GCC version for reference build	commit \| commitdiff \| tree
2016-07-30	Vedran Miletić	Document gmx_cgsort_t and gmx_domdec_sort_t structs	commit \| commitdiff \| tree
2016-07-09	Erik Lindahl	Prevent fragile use cases of checkpoint appending	commit \| commitdiff \| tree
2016-07-08	Erik Lindahl	Update affinity checking for Intel compiler	commit \| commitdiff \| tree
2016-07-08	Erik Lindahl	Work around compiler issue with random test	commit \| commitdiff \| tree
2016-07-08	Szilárd Páll	Add PDF metadata to the manual	commit \| commitdiff \| tree
2016-07-07	Erik Lindahl	Reduce hwloc & cpuid test requirements	commit \| commitdiff \| tree
2016-07-07	Teemu Murtola	Change handling for missing releng docs	commit \| commitdiff \| tree
2016-07-07	Szilárd Páll	Add user guide info on CUDA application clocks	commit \| commitdiff \| tree
2016-07-07	Mark Abraham	Fix build if libcuda is found but nvcc is not	commit \| commitdiff \| tree
2016-06-07	Semen Yesylevskyy	Added manual section about embedding proteins to membranes.	commit \| commitdiff \| tree
2016-06-05	Szilárd Páll	Add support for CUDA CC 6.0/6.1	commit \| commitdiff \| tree
2016-06-03	Berk Hess	Handle partially frozen and constrained atoms	commit \| commitdiff \| tree
2016-06-02	Szilárd Páll	Add env. var. to enable OpenCL caching	commit \| commitdiff \| tree
2016-06-02	Szilárd Páll	Fix OpenCL binary cache file name generation	commit \| commitdiff \| tree
2016-06-02	Roland Schulz	Fix ICC 16u3 build	commit \| commitdiff \| tree
2016-06-02	Patrick Welche	Ensure IMD include dependencies work	commit \| commitdiff \| tree
2016-05-29	Mark Abraham	Simplified and updated OpenCL compilation	commit \| commitdiff \| tree
2016-05-23	Berk Hess	Fix bug in v-rescale thermostat & replica exchange	commit \| commitdiff \| tree
2016-05-10	Erik Lindahl	Fixed large file issue on 32-bit platforms	commit \| commitdiff \| tree
2016-05-08	Berk Hess	Update mdrun termination info	commit \| commitdiff \| tree
2016-04-03	Berk Hess	Correct nrdf for 1D/2D systems	commit \| commitdiff \| tree
2015-12-24	Erik Lindahl	Extended SIMD, implementation for IBM Power7/8 VSX	commit \| commitdiff \| tree
2015-12-21	Erik Lindahl	Extended SIMD, implementation for BlueGene/Q	commit \| commitdiff \| tree
2015-12-21	Erik Lindahl	Extended SIMD implementation for 256-bit AVX and AVX2	commit \| commitdiff \| tree
2015-12-16	Erik Lindahl	Next-generation SIMD module, reference implementation	commit \| commitdiff \| tree
2015-10-30	Erik Lindahl	Break dependence of group kernels on simd module	commit \| commitdiff \| tree
2015-09-30	Roland Schulz	Require C++11	commit \| commitdiff \| tree
2015-08-13	Mark Abraham	Re-enable multi-GPU support in OpenCL for thread MPI	commit \| commitdiff \| tree
2015-08-05	Erik Lindahl	Fix PGI compiler flag	commit \| commitdiff \| tree
2015-07-27	Erik Lindahl	Moved additional gmxlib sources to C++	commit \| commitdiff \| tree
2015-07-26	Mark Abraham	Convert some mdrun utility code to C++	commit \| commitdiff \| tree
2015-07-26	Erik Lindahl	Merge branch release-5-1	commit \| commitdiff \| tree
2015-07-07	Erik Lindahl	Move QMMM source to C++	commit \| commitdiff \| tree
2015-07-05	Berk Hess	Fix DD DLB state issue	commit \| commitdiff \| tree
2015-06-27	Erik Lindahl	Fix single-prec. softcore issue in 4.6 branch	commit \| commitdiff \| tree
2015-02-20	Erik Lindahl	Famous quote from Colleen McCullough	commit \| commitdiff \| tree
2015-02-20	Erik Lindahl	Added two pop-culture quotes from Andy Warhol.	commit \| commitdiff \| tree
2014-09-20	Erik Lindahl	Fix RelWithDebInfo name bugs, and use full optimization.	commit \| commitdiff \| tree
2014-09-02	Erik Lindahl	Fixed string var expansion in CMake due to CMP0053	commit \| commitdiff \| tree
2014-08-10	Erik Lindahl	Make internal BLAS/LAPACK messages less noisy	commit \| commitdiff \| tree
2014-07-28	Roland Schulz	Add unit test for random/Threefry	commit \| commitdiff \| tree
2014-07-27	Erik Lindahl	Fix selection of xtc groups not starting at index 0	commit \| commitdiff \| tree
2014-07-11	Erik Lindahl	Make AVX2 check more robust	commit \| commitdiff \| tree
2014-06-24	Erik Lindahl	Fixed recent bug with disp.corr. and vdwtype=shift	commit \| commitdiff \| tree
2014-06-23	Erik Lindahl	Enable terminus-specific atom translation	commit \| commitdiff \| tree
2014-06-22	Erik Lindahl	Make log file option listing similar to mdp names	commit \| commitdiff \| tree
2014-06-21	Erik Lindahl	Make sure masses are copied from termini databases	commit \| commitdiff \| tree
2014-03-31	Teemu Murtola	Move some math headers away from legacyheaders/	commit \| commitdiff \| tree
2014-03-16	Erik Lindahl	Use a constant instead of sizeof(int) for SSE2 immediate...	commit \| commitdiff \| tree
2014-02-01	Erik Lindahl	Use pseudo-random instead of random streams to intialize...	commit \| commitdiff \| tree
2013-01-17	Roland Schulz	Remove unnecessary ICC flags affecting performance	commit \| commitdiff \| tree
2013-01-10	Erik Lindahl	Fixes SSE/AVX compilation under Windows	commit \| commitdiff \| tree
2013-01-09	Erik Lindahl	Added work-around for gcc bug in AVX intrinsincs formal...	commit \| commitdiff \| tree
2012-12-30	Erik Lindahl	Fixed GMXRC so we are not polluting standard shell...	commit \| commitdiff \| tree
2012-12-27	Erik Lindahl	Fixed error message for zwitterion residues	commit \| commitdiff \| tree
2012-12-20	Erik Lindahl	Fixed AVX256 double-precision kernels for gcc	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Fix for icc 13 optimization-related issue and TIP4P...	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Implemented RMS-based force tolerance in gmxcheck	commit \| commitdiff \| tree
2012-11-22	Erik Lindahl	Fixed LJ-14 error in free energy	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removed old (now unused) bluegene kernels.	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removed unused old kernel generator	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removal of stale Fortran/Power6 kernels	commit \| commitdiff \| tree
2012-11-09	Erik Lindahl	Removal of stale Fortran kernels	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Fixed bug in the new switch-modified interactions in...	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Allow rcoulomb=rlistlong for PME with nstcalclr=1	commit \| commitdiff \| tree
2012-06-21	Erik Lindahl	Fixed gcc inline assembly issue with PIC and older...	commit \| commitdiff \| tree
2012-06-16	Erik Lindahl	New CPU detection & AVX/SSE code, removed raw assembly...	commit \| commitdiff \| tree
2011-09-13	Erik Lindahl	Introduced different options for pdb2gmx termini introductio...	commit \| commitdiff \| tree
2011-09-13	Erik Lindahl	Fixed incorrection AmberGS force field (redmine #728)	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Update doc to clarify that Amber nucleic params are...	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2011-05-05	Erik Lindahl	Update doc to clarify that Amber nucleic params are...	commit \| commitdiff \| tree
2011-01-30	Erik Lindahl	Improved PBC handling for large molecules during cluster PBC	commit \| commitdiff \| tree
2011-01-30	Erik Lindahl	Fixed the pbc cluster option of trjconv by switching...	commit \| commitdiff \| tree
2010-10-09	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-10-09	Erik Lindahl	Fixed uninitialized variable warning in grompp.c	commit \| commitdiff \| tree
2010-09-01	Erik Lindahl	Removed lots of unnecessary messages to stdout from...	commit \| commitdiff \| tree
2010-09-01	Erik Lindahl	Added Gerrit to the list of authors. Sorry for forgetting...	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Made the options program for the latex manual compile...	commit \| commitdiff \| tree
2010-08-31	Erik Lindahl	Fixed typo in src/contrib/Makefile.am	commit \| commitdiff \| tree
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