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Avoid energy drift with verlet-buffer-tolerance
[alexxy/gromacs.git]
/
share
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html
/
online
/
mdp_opt.html
2014-05-22
Berk Hess
Avoid energy drift with verlet-buffer-tolerance
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2014-05-10
Roland Schulz
Merge release-4-6 into release-5-0
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2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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2014-03-23
Mark Abraham
Merge branch release-4-6
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2014-03-17
Mark Abraham
Merge branch release-4-6
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2014-03-03
Roland Schulz
Merge release-4-6 into master
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2014-02-26
Michael Shirts
Updating and improving Andersen thermostat documentation
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2014-02-21
Roland Schulz
Merge release-4-6 into master
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2014-02-20
Mark Abraham
Remove particle decomposition
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2014-02-19
Berk Hess
Implemented nbnxn LJ switch functions
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2014-02-06
Roland Schulz
Use random seeds by default
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2014-02-02
Roland Schulz
Merge release-4-6 into master
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2014-01-29
Justin Lemkul
Clarified use of table-extension..
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2014-01-29
Berk Hess
Automated Verlet rlist for NVE simulations
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2014-01-28
Mark Abraham
Merge branch 'release-4-6'
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2014-01-20
Mark Abraham
Rename 'gmx tpbconv' to 'gmx convert-tpr'
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2014-01-20
Magnus Lundborg
Add TNG writing and reading support
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2014-01-09
Roland Schulz
Merge release-4-6 into master
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2014-01-01
Roland Schulz
Merge release-4-6 into master
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2013-12-03
Berk Hess
Removed restriction of one reference pull group
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2013-12-02
Berk Hess
Made cutoff-scheme=Verlet the default
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2013-12-02
Berk Hess
Renamed verlet-buffer-drift to verlet-buffer-tolerance
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2013-12-02
Mark Abraham
Version bumps before release
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2013-12-02
Roland Schulz
Merge "Merge branch 'release-4-6'"
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2013-12-02
Christian Wennberg
Calculating LJ-interactions using Particle mesh Ewald
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2013-12-02
Mark Abraham
Merge branch 'release-4-6'
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2013-11-28
Teemu Murtola
Uniform headers in HTML pages
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2013-11-15
Erik Lindahl
Merge "Merge branch release-4-6"
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2013-11-15
Mark Abraham
Merge branch release-4-6
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2013-11-13
Mark Abraham
Fix minor things before release
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2013-10-30
Roland Schulz
Merge release-4-6 into master
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2013-10-23
Mark Abraham
Merge branch release-4-6 into master
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2013-09-26
Teemu Murtola
Merge "Merge branch release-4-6"
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2013-09-26
Mark Abraham
Remove General Coupling Theory stuff
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2013-09-23
Teemu Murtola
Merge "Merge branch 'release-4-6'"
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2013-09-20
Mark Abraham
Merge branch 'release-4-6'
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2013-09-16
Michael Shirts
Fixing manual for sc-coul description.
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2013-07-24
Roland Schulz
Merge "Merge branch release-4-6 into master"
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2013-07-24
Mark Abraham
Merge branch release-4-6 into master
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2013-07-07
Mark Abraham
Fixed minor admin issues
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2013-05-30
Mark Abraham
Merge "Merge branch 'release-4-6'"
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2013-05-24
Teemu Murtola
Merge branch 'release-4-6'
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2013-05-21
Mark Abraham
Updated grompp cut-off and PME-Switch checks
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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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2013-02-13
Roland Schulz
Merge release-4-6 into master
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2013-02-08
Mark Abraham
Merge "cmake: fixed typo in template CMakeLists.txt...
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2013-01-25
Christoph Junghans
Merge "Moved a few comments back into position" into...
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2013-01-22
Mark Abraham
Merge "Re-licenced FindGROMACS.cmake (was written by...
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2013-01-22
Mark Abraham
Merge "Updated html manual to 4.6" 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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2013-01-22
Roland Schulz
Updated html manual to 4.6
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2013-01-21
Roland Schulz
Merge release-4-6 into master
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2013-01-20
Roland Schulz
Merge release-4-6 into master
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2013-01-18
Michael Shirts
Addendum for expanded ensemble options plus formatting...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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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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2013-01-15
Roland Schulz
Merge release-4-6 into master
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2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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2013-01-15
Christoph Junghans
Merge "disable OpenMP with all OS X gcc 4.2-based compi...
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2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
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2013-01-15
Michael Shirts
Continuation of documentation for expanded ensemble.
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2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into releas...
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2013-01-11
Christoph Junghans
Merge "Remove incorrect assert added by 05f9a740" into...
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2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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2013-01-10
Erik Lindahl
Revert default rlist/rvdw/rcoulomb to valid values...
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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
Christoph Junghans
Merge "Fix g_msd -mol" 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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2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
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2012-11-12
Christoph Junghans
Merge "Option to create symlinks to g_ana."
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2012-11-12
Christoph Junghans
Merge "Always use relative install paths."
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2012-11-10
Roland Schulz
Merge release-4-6 into master
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2012-11-10
Roland Schulz
Merge "Fix broken manual formatting" into release-4-6
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2012-11-10
Mark Abraham
Fix broken manual formatting
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2012-11-09
Roland Schulz
Merge origin/release-4-6 into master
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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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2012-11-06
Roland Schulz
Merge "Clarification of mdp_opt, add nstexpand defaults...
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2012-11-06
Michael Shirts
Clarification of mdp_opt, add nstexpand defaults &...
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2012-11-03
Roland Schulz
Merge release-4-6 into master
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-26
Christoph Junghans
Merge "enable GMX_PREFER_STATIC_LIBS CMake option on...
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2012-10-26
Christoph Junghans
Merge "fix false positive gcc 4.7 warning in libxdrf...
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2012-10-26
Roland Schulz
Merge "set the default for nstdhdl to 100" into release-4-6
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2012-10-26
Berk Hess
set the default for nstdhdl to 100
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2012-10-17
Roland Schulz
Merge branch 'release-4-6', adds the nbnxn functionality
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