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Fix message about incorrect usage of dihedral type 9
[alexxy/gromacs.git]
/
share
/
html
/
2013-12-02
Mark Abraham
Version bumps before release
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commitdiff
2013-11-13
Mark Abraham
Fix minor things before release
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commitdiff
2013-09-16
Michael Shirts
Fixing manual for sc-coul description.
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commitdiff
2013-07-07
Mark Abraham
Fixed minor admin issues
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commitdiff
2013-05-21
Mark Abraham
Updated grompp cut-off and PME-Switch checks
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commitdiff
2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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commitdiff
2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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commitdiff
2013-02-08
Mark Abraham
Merge "cmake: fixed typo in template CMakeLists.txt...
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commitdiff
2013-01-25
Christoph Junghans
Merge "Moved a few comments back into position" into...
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commitdiff
2013-01-22
Mark Abraham
Merge "Re-licenced FindGROMACS.cmake (was written by...
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commitdiff
2013-01-22
Mark Abraham
Merge "Updated html manual to 4.6" into release-4-6
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commitdiff
2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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commitdiff
2013-01-22
Roland Schulz
Updated html manual to 4.6
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commitdiff
2013-01-18
Michael Shirts
Addendum for expanded ensemble options plus formatting...
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commitdiff
2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performan...
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commitdiff
2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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commitdiff
2013-01-17
Christoph Junghans
Merge "Added note about make_edi and flooding in ED...
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commitdiff
2013-01-17
Christoph Junghans
Merge "use the compiler version provided by CMake ...
tree
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commitdiff
2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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commitdiff
2013-01-17
Christoph Junghans
Merge "note the reason for auto-disabling GPU support...
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commitdiff
2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
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commitdiff
2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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commitdiff
2013-01-17
Sander Pronk
Added mdp option 'calc-lambda-neighbors'.
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commitdiff
2013-01-17
Sander Pronk
Fixes to free energy code, output & g_bar compatibility.
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commitdiff
2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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commitdiff
2013-01-15
Christoph Junghans
Merge "disable OpenMP with all OS X gcc 4.2-based compi...
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commitdiff
2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
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commitdiff
2013-01-15
Michael Shirts
Continuation of documentation for expanded ensemble.
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commitdiff
2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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commitdiff
2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into releas...
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commitdiff
2013-01-11
Christoph Junghans
Merge "Remove incorrect assert added by 05f9a740" into...
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commitdiff
2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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commitdiff
2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communi...
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commitdiff
2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
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commitdiff
2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
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commitdiff
2013-01-10
Erik Lindahl
Remove broken g_dih tool
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commitdiff
2013-01-10
Erik Lindahl
Revert default rlist/rvdw/rcoulomb to valid values...
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commitdiff
2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
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commitdiff
2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
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commitdiff
2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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commitdiff
2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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commitdiff
2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
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commitdiff
2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into relea...
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commitdiff
2013-01-03
Justin Lemkul
Fixed format error in online manual.
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commitdiff
2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
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commitdiff
2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
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commitdiff
2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
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commitdiff
2012-11-27
Roland Schulz
Remove CVS files
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commitdiff
2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
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commitdiff
2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
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commitdiff
2012-11-10
Roland Schulz
Merge "Fix broken manual formatting" into release-4-6
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commitdiff
2012-11-10
Mark Abraham
Fix broken manual formatting
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commitdiff
2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
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commitdiff
2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
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commitdiff
2012-11-06
Roland Schulz
Merge "Clarification of mdp_opt, add nstexpand defaults...
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commitdiff
2012-11-06
Michael Shirts
Clarification of mdp_opt, add nstexpand defaults &...
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commitdiff
2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-10-26
Christoph Junghans
Merge "enable GMX_PREFER_STATIC_LIBS CMake option on...
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commitdiff
2012-10-26
Christoph Junghans
Merge "fix false positive gcc 4.7 warning in libxdrf...
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commitdiff
2012-10-26
Roland Schulz
Merge "set the default for nstdhdl to 100" into release-4-6
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commitdiff
2012-10-26
Berk Hess
set the default for nstdhdl to 100
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commitdiff
2012-10-17
Kasson
Merge "Make Gromacs compile without C++ compiler" into...
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commitdiff
2012-10-08
Berk Hess
made non-bonded potential shifts mdp options
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commitdiff
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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commitdiff
2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-09-06
Roland Schulz
Merge "Fixed .g96 trajectory reading." into release...
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commitdiff
2012-09-04
David van der Spoel
Made tutorial slightly less confusing.
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commitdiff
2012-09-03
Kasson
Merge "Document correct comm_mode option" into release...
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commitdiff
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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commitdiff
2012-08-28
Mark Abraham
Document correct comm_mode option
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commitdiff
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
tree
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commitdiff
2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
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commitdiff
2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
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commitdiff
2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
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commitdiff
2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
tree
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commitdiff
2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
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commitdiff
2012-07-04
Berk Hess
set default for rcoulomb, rvdw and rlist to -1
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commitdiff
2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
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commitdiff
2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
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commitdiff
2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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commitdiff
2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
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commitdiff
2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
tree
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commitdiff
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Szilard Pall
Corrected fourierspacing description
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commitdiff
2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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commitdiff
2012-04-22
Roland Schulz
Merge "enable command line option cheking in mdrun...
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commitdiff
2012-04-16
Roland Schulz
Merge "changed default for nstxout, nstvout and nstlog...
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commitdiff
2012-04-16
Berk Hess
changed default for nstxout, nstvout and nstlog
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commitdiff
2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
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