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fixed incorrect scaling of cos-acceleration viscosity
[alexxy/gromacs.git]
/
src
/
mdlib
/
mdebin.c
2013-05-08
Berk Hess
fixed incorrect scaling of cos-acceleration viscosity
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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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2013-01-22
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
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-17
Christoph Junghans
Merge "note the reason for auto-disabling GPU support...
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2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
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2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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2013-01-17
Sander Pronk
Added mdp option 'calc-lambda-neighbors'.
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2013-01-17
Sander Pronk
Fixes to free energy code, output & g_bar compatibility.
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2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
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2012-12-09
Roland Schulz
Merge "Fix build of template and other external code...
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2012-12-06
Michael Shirts
Removing (inaccurate) virial temperature calc.
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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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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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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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2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
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2012-07-15
David van der Spoel
Merge "Autogenerate gromacs.7 from programs.txt" into...
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
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2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
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2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
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2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
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2012-07-03
Szilárd Páll
Merge "Minor formatting and consistency changes to...
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2012-07-02
Christoph Junghans
Do not print disabled pressures and virials
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2012-06-25
Berk Hess
fixed segv/hang with EM and foreign lambda values
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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
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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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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2012-03-16
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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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-19
Carsten Kutzner
Enforced rotation
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2011-09-13
Berk Hess
Merge "Remove segv in xpm2ps, fixes #611" into release...
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2011-09-05
Michael Shirts
Merge "fixed incorrect pV term in the energy file"...
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2011-08-29
Berk Hess
fixed incorrect pV term in the energy file
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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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2011-03-11
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-03-10
Sander Pronk
More allocation fixes for NUMA allocator.
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-02-24
Berk Hess
added missing density factor to cosaccel 1/viscosity...
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-11-02
Sander Pronk
Fixed double precision energy file reading + box matrix...
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2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-25
Rossen Apostolov
mdrun-gpu now doesn't output individual energy term...
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2010-09-17
Berk Hess
Revert "added GB non-polar solvation energy term to...
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2010-09-17
Berk Hess
added GB non-polar solvation energy term to the log...
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2010-09-10
Berk Hess
made sure the energy history from a checkpoint file...
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2010-08-29
Sander Pronk
Made the dhdl_derivatives option do something when...
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2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-21
Erik Lindahl
Dont write nonpolar surface energy to energy file if...
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-20
Sander Pronk
Added support for new mdp options controlling free...
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2010-08-20
Berk Hess
added dt to energy file frames
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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Erik Lindahl
Fix to write GB and surface energy to separate terms...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-09
Sander Pronk
Now correctly checkpoints on dhdl histograms/lists...
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2010-08-08
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-06
Sander Pronk
BAR calculations can now store energy histograms in...
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2010-07-24
Sander Pronk
New .edr file format: now supports blocks of arbitrary...
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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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2010-04-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-08
Pär Bjelkmar
Merge branch 'master' of git.gromacs.org:gromacs
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2010-04-06
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-06
Berk Hess
added lambda to the dhdl.xvg subtitle
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-09
Berk Hess
added checksums for mdrun xvg output files
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