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2017-08-10	Mark Abraham	Clarify data flow in GPU task assignment	commit \| commitdiff \| tree
2017-08-07	Mark Abraham	Simplified handling of GPU device IDs	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Split printhardware from detecthardware	commit \| commitdiff \| tree
2017-07-27	M. Eric Irrgang	Provide STL make_unique template function.	commit \| commitdiff \| tree
2017-07-24	Mark Abraham	Separated responsibility for consistency checking	commit \| commitdiff \| tree
2017-07-24	Mark Abraham	Remove unnecessary GPU checking code	commit \| commitdiff \| tree
2017-07-20	Mark Abraham	Cleaned up bUseGpu in runner	commit \| commitdiff \| tree
2017-07-20	Peter Kasson	Rework and rename gmx_select_gpu_ids	commit \| commitdiff \| tree
2017-07-20	Mark Abraham	Stop duplicate printing of detected GPUs	commit \| commitdiff \| tree
2017-07-20	Mark Abraham	Fix use of GMX_SIMD in own-fftw build	commit \| commitdiff \| tree
2017-07-18	Mark Abraham	Converted some const pointers into const references...	commit \| commitdiff \| tree
2017-07-18	Mark Abraham	Eliminated pick_nbnxn_resources	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	More updates to testing matrix	commit \| commitdiff \| tree
2017-07-10	Carsten Kutzner	Added missing .mdp file documentation for the enforced...	commit \| commitdiff \| tree
2017-06-09	Carsten Kutzner	Moved essential dynamics initialization call into do_md()	commit \| commitdiff \| tree
2017-06-09	Berk Hess	Replace iso by instead of	commit \| commitdiff \| tree
2017-06-09	Carsten Kutzner	Adopt and document implementation policy for MD modules	commit \| commitdiff \| tree
2017-06-08	Berk Hess	Fix COM pull force with SD	commit \| commitdiff \| tree
2017-06-07	Berk Hess	Avoid grompp charge warning with rounding	commit \| commitdiff \| tree
2017-06-05	Szilárd Páll	Add CUDA 8.0 + SIMD pre-submit test	commit \| commitdiff \| tree
2017-06-04	Berk Hess	Fix checkpoint reading without energy history	commit \| commitdiff \| tree
2017-05-30	Mark Abraham	Fix NVML error messages	commit \| commitdiff \| tree
2017-05-29	Jiri Kraus	Update FindNVML to fix #2061	commit \| commitdiff \| tree
2017-05-27	Berk Hess	Made duplicate atoms in bondeds an error	commit \| commitdiff \| tree
2017-05-23	Erik Lindahl	Updated cool quotes	commit \| commitdiff \| tree
2017-05-23	Berk Hess	Add conserved quantity for Berendsen P-couple	commit \| commitdiff \| tree
2017-05-23	Szilárd Páll	Add basic doxygen for the Verlet nonbonded module	commit \| commitdiff \| tree
2017-05-23	Berk Hess	Add conserved q. for PR and Berendsen T-couple	commit \| commitdiff \| tree
2017-05-23	Berk Hess	Make DD setup obey PME restrictions	commit \| commitdiff \| tree
2017-05-22	Berk Hess	Introduce ObservablesHistory container	commit \| commitdiff \| tree
2016-09-07	Mark Abraham	Fix LYN charges in amber03	commit \| commitdiff \| tree
2016-09-07	Mark Abraham	Fix amber03 HIP charges	commit \| commitdiff \| tree
2015-07-05	Teemu Murtola	Improve gmx help -export Sphinx rebuild behavior	commit \| commitdiff \| tree
2014-01-08	Peter Kasson	Checkpointing fix for Native Client	commit \| commitdiff \| tree
2013-12-29	Peter Kasson	Patch for Native Client builds.	commit \| commitdiff \| tree
2013-02-28	Peter Kasson	Declaration-definition consistency nbxn_cuda_wait_gpu.	commit \| commitdiff \| tree
2010-08-10	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-29	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-29	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-13	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-07	Peter Kasson	Changed #ifdef option to allow forced trr write on...	commit \| commitdiff \| tree
2010-06-30	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-29	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-29	Peter Kasson	Added a few comments to gmx_membed	commit \| commitdiff \| tree
2010-06-25	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-23	Peter Kasson	make CMake with GCC default to C99 off (gcc 4.3 and...	commit \| commitdiff \| tree
2010-06-20	Peter Kasson	fixed typo in previous commit	commit \| commitdiff \| tree
2010-06-20	Peter Kasson	Modified stat.c trr file check for FAHCORE.	commit \| commitdiff \| tree
2010-06-17	kasson	Changed HAVE_COPYFILE check to HAVE_COPYFILE_H in futil.c	commit \| commitdiff \| tree
2010-06-17	kasson	Merge branch 'master' of git://git.gromacs.org/gromacs	commit \| commitdiff \| tree
2010-06-16	kasson	Fixing #if statement.	commit \| commitdiff \| tree
2010-06-16	kasson	Added defined() to #if macros	commit \| commitdiff \| tree
2010-06-16	kasson	Merge branch 'mymaster'	commit \| commitdiff \| tree
2010-06-16	Peter Kasson	Changed some SSE typecasts to macros; fixing ICC/Windows...	commit \| commitdiff \| tree
2010-05-13	Peter Kasson	made #defines consistent: FAHCORE -> GMX_FAHCORE	commit \| commitdiff \| tree
2010-05-11	Peter Kasson	Added #ifdef HAVE_SIGUSR1 around SIGUSR1 refs in sighandler.c	commit \| commitdiff \| tree
2010-04-17	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-04-17	Peter Kasson	Fixes for Windows/ICC--typecasting	commit \| commitdiff \| tree
2010-04-12	kasson	Fixed dumb typos with last commit; 2 error messages...	commit \| commitdiff \| tree
2010-04-12	kasson	Fixed typecasts that broke under intel compiler + double...	commit \| commitdiff \| tree
2010-04-09	kasson	Merge branch 'master' of git://git.gromacs.org/gromacs	commit \| commitdiff \| tree
2010-04-09	kasson	Added line for Dart	commit \| commitdiff \| tree
2010-04-04	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-04-04	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-04-04	kasson	Added utility routine.	commit \| commitdiff \| tree
2010-03-25	Peter Kasson	Changed divide-by-zero #define from divide() to divide_err...	commit \| commitdiff \| tree
2010-03-15	kasson	One more typo.	commit \| commitdiff \| tree
2010-03-15	kasson	Fixed typos in GB inner dielectric commit for some...	commit \| commitdiff \| tree
2010-03-15	kasson	Changed Generalized Born scaling to use epsilon_r for...	commit \| commitdiff \| tree
2010-03-12	Peter Kasson	Fixed C99 -> C syntax for md_openmm.c	commit \| commitdiff \| tree
2010-03-12	Peter Kasson	Reverted duplicate fix from ff53e7244c832155f47269f459ec0ebe...	commit \| commitdiff \| tree
2010-03-12	Peter Kasson	Minor CMake tweaks and Windows modifications.	commit \| commitdiff \| tree
2010-03-09	kasson	Pulled CMake option out of if statement to fix infinite...	commit \| commitdiff \| tree
2010-01-27	kasson	Added fflibutil to CMakeLists.txt	commit \| commitdiff \| tree
2010-01-26	kasson	Check for infinite values in LINCS warnings.	commit \| commitdiff \| tree
2010-01-21	kasson	Suppress warning message in FAHCORE.	commit \| commitdiff \| tree
2009-12-17	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-17	Peter Kasson	Minor fix for checkpointing.	commit \| commitdiff \| tree
2009-12-14	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-14	Peter Kasson	Changed SSE typecasts back to #defines for portability...	commit \| commitdiff \| tree
2009-12-14	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-11	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-12-10	kasson	Added CMake code to enable option of building "old...	commit \| commitdiff \| tree
2009-12-10	kasson	Workarounds for md5.	commit \| commitdiff \| tree
2009-12-10	kasson	Added CMake code to enable option of building "old...	commit \| commitdiff \| tree
2009-12-10	kasson	Fixes for MKL. Someone should probably check compatibility...	commit \| commitdiff \| tree
2009-12-09	kasson	Merge branch '2dpme' of git.gromacs.org:gromacs into...	commit \| commitdiff \| tree
2009-12-07	kasson	Merge branch '2dpme' of git.gromacs.org:gromacs into...	commit \| commitdiff \| tree
2009-12-07	kasson	Workarounds for md5.	commit \| commitdiff \| tree
2009-11-11	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-11	Peter Kasson	PK bugfix for editconf	commit \| commitdiff \| tree
2009-11-11	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-11	Peter Kasson	Added -align and -aligncenter options for editconf.	commit \| commitdiff \| tree
2009-11-09	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-09	Peter Kasson	Fix to change sequential numbering in genconf and residue...	commit \| commitdiff \| tree
2009-11-09	Peter Kasson	Residue numbering functionality has changed. Added...	commit \| commitdiff \| tree
2009-11-08	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2009-11-08	Peter Kasson	Added code to restore old behavior of genconf -renumber...	commit \| commitdiff \| tree
2009-11-05	Peter Kasson	Modified genrestr to allow restraining only pairs within...	commit \| commitdiff \| tree
2009-10-12	kasson	Patch to ensure nonzero XTC in FAHCORE.	commit \| commitdiff \| tree
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The ultimate molecular dynamics simulation package

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