2013-01-18 |
Mark Abraham | Fixing copyright issues and code contributors |
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2013-01-17 |
Mark Abraham | Merge "Remove unnecessary ICC flags affecting performan... |
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2013-01-17 |
Mark Abraham | Merge "improved CUDA kernel performance by pre-loading... |
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2013-01-17 |
Christoph Junghans | Merge "Added note about make_edi and flooding in ED... |
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2013-01-17 |
Christoph Junghans | Merge "use the compiler version provided by CMake ... |
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2013-01-17 |
Szilárd Páll | Merge changes I930b316c,Iea4283e0,I103648f8 into releas... |
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2013-01-17 |
Mark Abraham | Merge branch 'release-4-5-patches' into release-4-6 |
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2013-01-17 |
Berk Hess | fixed SD+BD integration slowing down with OpenMP threads |
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2013-01-11 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-11-29 |
Mark Abraham | Update copyright statements and change license to LGPL |
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2012-11-26 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-11-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-11-08 |
Christoph Junghans | Merge "auto-set nvcc host compiler with FindMPI detecti... |
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2012-11-08 |
Erik Lindahl | Infrastructure for new group kernels, and new C kernels |
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2012-11-03 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-10-25 |
Roland Schulz | Merge "fix CUDA non-bonded kernel pointer assignment... |
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2012-10-23 |
Roland Schulz | Merge "added OpenMP parallelization for virtual sites... |
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2012-10-22 |
Roland Schulz | Fix minor OpenMP issue for md-vv update |
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2012-10-02 |
Szilard Pall | added Verlet scheme and NxN non-bonded functionality |
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2012-10-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-09-03 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-07-13 |
Roland Schulz | Merge release-4.5-patches into HEAD |
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2012-06-04 |
Michael Shirts | Merging in free energy, exp. ensemble, & andersen t... |
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2012-06-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-05-07 |
Teemu Murtola | Merge branch 'gerrit/release-4-5-patches' into release-4-6 |
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2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-04-29 |
David van der Spoel | Merge "added support for graphs not starting at 0"... |
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2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-04-26 |
Berk Hess | added support for graphs not starting at 0 |
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2012-04-26 |
Berk Hess | Merge release-4-5-patches into release-4-6 |
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2012-04-26 |
David van der Spoel | Merge "[tools] g_sans - splited out fixes and added... |
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2012-04-26 |
Berk Hess | fixed the reported temperature with Brownian dynamics |
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2012-04-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-03-28 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-03-21 |
Roland Schulz | Removing unused code |
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2012-03-16 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-02-29 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-02-23 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-08 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-08 |
Christoph Junghans | Merge "fixed confusing nonbonded kernel pointer initial... |
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2012-02-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-03 |
David van der Spoel | Merge "Improved the accuracy of the sd1 integrator... |
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2012-02-02 |
Berk Hess | Improved the accuracy of the sd1 integrator |
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2011-05-05 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2011-04-04 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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2011-03-14 |
Berk Hess | fixed bd with bd_fric>0 making all coordinates 0 |
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2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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2010-09-16 |
Berk Hess | tau_t=-1 now works in grompp and with SD |
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2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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2010-08-21 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-19 |
Michael Shirts | Fixed bug with md-vv and with v-rescale |
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2010-08-19 |
Michael Shirts | Proposed fix for v-rescale and berendsen for velocity... |
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2010-08-03 |
Berk Hess | made vrescale and Berendsen tcouple work with VV, altho... |
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2010-07-30 |
Erik Lindahl | Merge branch 'master' of git.gromacs.org:gromacs |
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2010-07-30 |
Berk | added mdp parameters nsttcouple and nstpcouple |
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2010-07-21 |
Berk | corrected the order of the parallel inputrec and state... |
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2010-06-09 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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2010-04-27 |
Berk Hess | resolved merge conflicts |
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2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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2010-02-17 |
Berk Hess | some clean-up in the VV code in do_md and fixed the... |
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2010-01-26 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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2010-01-25 |
Berk Hess | fixed segv with integrator sd2 |
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2010-01-19 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2010-01-07 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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2010-01-05 |
Roland Schulz | Undo Michael's accidental commits with: |
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2010-01-04 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-23 |
Michael Shirts | fixed sd (I think). |
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2009-12-22 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-22 |
Sander Pronk | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-22 |
Sander Pronk | Fixed some small issues - mdrun still doesn't work. |
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2009-12-21 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-20 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-19 |
Michael Shirts | Committing to merge |
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2009-12-19 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-19 |
Michael Shirts | Making the code thread safe (removing the static ints... |
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2009-12-17 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-17 |
Michael Shirts | Changed eiVV2 to eiVVAK, and "md-vv2" to "md-vv-avek... |
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2009-12-05 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-04 |
Michael Shirts | Rewrite of the half-step ekin for velocity verlet,... |
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2009-11-28 |
Michael Shirts | Majority of commits for correct checkpointing. |
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2009-11-23 |
Michael Shirts | Apparently works with all the methods now, both with... |
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2009-11-22 |
Michael Shirts | Checking in code that does all but NPT average Ekin. |
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2009-11-20 |
Michael Shirts | Working with velocity verlet / harmonic bonds with... |
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2009-11-20 |
Michael Shirts | Almost working now! not vv for average kinetic energy... |
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2009-11-19 |
Michael Shirts | Partway through with rationalization of different integ... |
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2009-11-17 |
Michael Shirts | bug fix for leap. |
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2009-11-17 |
Michael Shirts | Some fixes for starting with constraints. Right now... |
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2009-11-15 |
Michael Shirts | Changed the organization of trotter updates to make... |
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2009-11-14 |
Michael Shirts | changed setup of trotter decomposition to make it easie... |
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2009-10-25 |
Michael Shirts | Bug fix from last commit -- one change. |
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2009-10-25 |
Michael Shirts | added changes to take alpha out of the ir->opts. now... |
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2009-10-25 |
Michael Shirts | Made changes suggested by Berk. |
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2009-09-26 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-26 |
Michael Shirts | Now we are getting energy conservation with NPT, and... |
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2009-09-23 |
Michael Shirts | before I make any other mistakes . . . |
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2009-09-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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