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

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

[alexxy/gromacs.git] / src / mdlib / forcerec.c

2012-11-28	Szilard Pall	enable GPU emulation without GPU support	blob \| commitdiff \| raw
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge "Clean up some mathematical constants" into relea...	blob \| commitdiff \| raw \| diff to current
2012-11-26	Berk Hess	made nbnxn analytical Ewald consistent	blob \| commitdiff \| raw \| diff to current
2012-11-26	Erik Lindahl	Merge "Extended build information output and reference...	blob \| commitdiff \| raw \| diff to current
2012-11-26	Berk Hess	added nbnxn analytical Ewald correction kernels	blob \| commitdiff \| raw \| diff to current
2012-11-20	Christoph Junghans	Merge "Fix g_msd -mol" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-19	Roland Schulz	Merge changes Ibc555d88,Iaf6f3051 into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-19	Roland Schulz	Merge "Remove double declaration in headers" into relea...	blob \| commitdiff \| raw \| diff to current
2012-11-17	Roland Schulz	Remove double declaration in headers	blob \| commitdiff \| raw \| diff to current
2012-11-17	Roland Schulz	Merge "Removing Zn and Ar non-OPLS atom types" into...	blob \| commitdiff \| raw \| diff to current
2012-11-15	Christoph Junghans	Merge "Test that compiling and linking of AVX works...	blob \| commitdiff \| raw \| diff to current
2012-11-15	Berk Hess	fixed incorrect 1-4 energies with OpenMP + energy groups	blob \| commitdiff \| raw \| diff to current
2012-11-08	Roland Schulz	Merge "Fixed bug in the new switch-modified interaction...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Christoph Junghans	Merge "auto-set nvcc host compiler with FindMPI detecti...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Christoph Junghans	Merge "Relocated logic of simple-vs-GPU Ewald table...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Mark Abraham	Relocated logic of simple-vs-GPU Ewald table generation	blob \| commitdiff \| raw \| diff to current
2012-11-08	Erik Lindahl	Infrastructure for new group kernels, and new C kernels	blob \| commitdiff \| raw \| diff to current
2012-11-03	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-25	Roland Schulz	Merge "fix CUDA non-bonded kernel pointer assignment...	blob \| commitdiff \| raw \| diff to current
2012-10-23	Roland Schulz	Merge "moved part of nbnxn_search.c to nbnxn_atomdata...	blob \| commitdiff \| raw \| diff to current
2012-10-23	Berk Hess	moved part of nbnxn_search.c to nbnxn_atomdata.c	blob \| commitdiff \| raw \| diff to current
2012-10-17	Kasson	Merge "Make Gromacs compile without C++ compiler" into...	blob \| commitdiff \| raw \| diff to current
2012-10-08	Berk Hess	made non-bonded potential shifts mdp options	blob \| commitdiff \| raw \| diff to current
2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw \| diff to current
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-25	Roland Schulz	Merge "cmake: allow switch between single and double...	blob \| commitdiff \| raw \| diff to current
2012-07-25	Roland Schulz	Merge "fix a segfault in sse_mask_init" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-24	Mark Abraham	Clean up of environment variables	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-26	Roland Schulz	Merge "Fix gmx_fatal for serial compilation" into relea...	blob \| commitdiff \| raw \| diff to current
2012-06-25	Berk Hess	added check for log fp!=NULL when disabling acceleration	blob \| commitdiff \| raw \| diff to current
2012-06-24	Michael Shirts	Merge "Fix mdp_opt formatting of expanded ensemble...	blob \| commitdiff \| raw \| diff to current
2012-06-22	Christoph Junghans	Merge "Simple patch for openmm_wrapper.cpp" into releas...	blob \| commitdiff \| raw \| diff to current
2012-06-16	Erik Lindahl	New CPU detection & AVX/SSE code, removed raw assembly...	blob \| commitdiff \| raw \| diff to current
2012-06-04	Michael Shirts	Merging in free energy, exp. ensemble, & andersen t...	blob \| commitdiff \| raw \| diff to current
2012-06-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-07	Teemu Murtola	Merge branch 'gerrit/release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-25	Berk Hess	replaced PPPM by P3M-AD: a few lines in pme.c	blob \| commitdiff \| raw \| diff to current
2012-04-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-03-28	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-18	David van der Spoel	Merge "Merge release-4-5-patches into release-4-6"...	blob \| commitdiff \| raw \| diff to current
2012-03-16	Berk Hess	fixed incorrect table allocation	blob \| commitdiff \| raw \| diff to current
2012-03-16	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-15	Roland Schulz	Fix most errors found by cppcheck	blob \| commitdiff \| raw \| diff to current
2012-02-29	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-02-23	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-02-08	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-02-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-02-02	Szilárd Páll	Merge "Merges in threading branch as one squashed commi...	blob \| commitdiff \| raw \| diff to current
2012-02-01	Christoph Junghans	initialize adress_do_hybridpairs=FALSE by default	blob \| commitdiff \| raw \| diff to current
2012-01-19	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-01-13	Roland Schulz	Merge "Fixed MSVC compiling with plug-in support" into...	blob \| commitdiff \| raw \| diff to current
2012-01-10	Christoph Junghans	Adds AdResS feature to gromacs	blob \| commitdiff \| raw \| diff to current
2011-08-12	Berk Hess	implemented full exclusion support for the charge-group...	blob \| commitdiff \| raw \| diff to current
2011-07-01	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-07-01	Justin A. Lemkul	Fixed PME citation.	blob \| commitdiff \| raw \| diff to current
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2010-10-28	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-12	Berk Hess	fixed incorrect dispersion correction for TPI with...	blob \| commitdiff \| raw \| diff to current
2010-08-30	Christoph Junghans	forcerec.c: added missing int	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Added check for SSE2 support to use generalized born...	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-08-18	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Erik Lindahl	Enabled double precision all-vs-all kernels. Tested...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-10	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-09	Berk	env.var. GMX_NB_GENERIC no turns off solvent optimizati...	blob \| commitdiff \| raw \| diff to current
2010-08-09	Berk	added exclusion check for cg-cg innerloops	blob \| commitdiff \| raw \| diff to current
2010-08-06	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-05	Berk Hess	sc_sigma now also sets the minimum value for the soft...	blob \| commitdiff \| raw \| diff to current
2010-07-26	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-26	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-26	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-26	Erik Lindahl	Added files in preparation of double-precision AllvsAll...	blob \| commitdiff \| raw \| diff to current
2010-07-26	Berk Hess	added natoms_force_constr to t_forcerec	blob \| commitdiff \| raw \| diff to current
2010-07-25	Erik Lindahl	Resolved merge conflict	blob \| commitdiff \| raw \| diff to current
2010-07-25	Erik Lindahl	Fixed bug for small systems in all-vs-all kernels,...	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-05	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-02	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-02	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-02	Rossen Apostolov	Disable AllvsAll kernels for very small systems (<...	blob \| commitdiff \| raw \| diff to current
2010-06-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-18	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-17	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-16	kasson	Merge branch 'mymaster'	blob \| commitdiff \| raw \| diff to current
2010-06-15	Berk Hess	allvsall loops now trigger particle decomposition	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-18	Berk	removed some double initialization code in mdrun	blob \| commitdiff \| raw \| diff to current
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