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Fix constraint virial with multiple time stepping
[alexxy/gromacs.git]
/
src
/
mdlib
/
update.c
2014-06-05
Berk Hess
Fix constraint virial with multiple time stepping
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2014-03-01
Mark Abraham
Add fatal error for Andersen+constraints+DD
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2013-06-20
Berk Hess
fixed SD and BD integrator OpenMP performance
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2013-05-15
Christoph Junghans
Merge "fixed incorrect scaling of cos-acceleration...
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2013-05-10
Sander Pronk
Merge "Fixing handling of perturbation mass changes...
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2013-04-30
Michael Shirts
Fixing handling of perturbation mass changes.
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threadin...
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2013-02-06
Berk Hess
fixed bug with sd integrator and OpenMP threading
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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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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