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Updated dlist.c to recognize more atom names.
[alexxy/gromacs.git]
/
share
/
2013-07-07
Mark Abraham
Fixed minor admin issues
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commitdiff
2013-05-30
Justin Lemkul
Added GROMOS96 54A7 force field files.
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commitdiff
2013-05-21
Mark Abraham
Updated grompp cut-off and PME-Switch checks
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commitdiff
2013-05-15
Christoph Junghans
Merge "fixed incorrect scaling of cos-acceleration...
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commitdiff
2013-05-10
Sander Pronk
Merge "Fixing handling of perturbation mass changes...
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commitdiff
2013-05-10
Mark Abraham
Merge "Fixes "Function type U-B not implemented in...
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commitdiff
2013-05-10
Mark Abraham
Merge "fixing rerun with free energy + .xtc or .gro...
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commitdiff
2013-05-07
Mark Abraham
Fix extant references to former GPL licensing
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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
2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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commitdiff
2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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commitdiff
2013-02-13
David van der Spoel
Plain text quotes.
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commitdiff
2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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commitdiff
2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threadin...
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commitdiff
2013-02-09
Roland Schulz
Merge "Typo fix" into release-4-6
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commitdiff
2013-02-08
Mark Abraham
Merge "added back cuda.h includes to fix missing CUDA_V...
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commitdiff
2013-02-08
Mark Abraham
Merge "Fixed flop counting for generic cg/adress kernel...
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commitdiff
2013-02-08
Mark Abraham
Merge "cmake: fixed typo in template CMakeLists.txt...
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commitdiff
2013-02-02
Christoph Junghans
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 "Illegal acceleration defaulted to QPX" 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
2013-01-19
Christoph Junghans
Re-licenced FindGROMACS.cmake (was written by me)
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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
2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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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 ...
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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 "Print out atom numbers in g_rmsf" into release...
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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
2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
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commitdiff
2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
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commitdiff
2013-01-07
Roland Schulz
Merge "minor speed-up and code clean-up in nbnxn kernel...
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commitdiff
2013-01-07
Christoph Junghans
Merge "Make gmx_cpuid.h self-standing." into release-4-6
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commitdiff
2013-01-04
Teemu Murtola
Merge "Minor fixes to g_angle help description." into...
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commitdiff
2013-01-04
Teemu Murtola
Merge "add an option to not build the template" into...
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commitdiff
2013-01-03
Christoph Junghans
add an option to not build the template
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commitdiff
2013-01-03
Justin Lemkul
Fixed format error in online manual.
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commitdiff
2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
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commitdiff
2012-12-20
Christoph Junghans
Merge "Fixed AVX256 double-precision kernels for gcc...
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commitdiff
2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 accelerati...
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commitdiff
2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
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commitdiff
2012-12-13
Christoph Junghans
Always build template program
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commitdiff
2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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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
2012-11-23
Roland Schulz
Merge "removed group non-boneded call with verlet schem...
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commitdiff
2012-11-23
Roland Schulz
Merge "improve FindGROMACS.cmake" into release-4-6
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commitdiff
2012-11-22
Christoph Junghans
improve FindGROMACS.cmake
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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
David van der Spoel
Merge "Added grompp warning" into release-4-6
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commitdiff
2012-11-17
David van der Spoel
Merge "Remove rest of the xml support" 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
2012-11-16
Roland Schulz
Removing Zn and Ar non-OPLS atom types
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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
Berk Hess
Merge "Add option to install libcudart" into release-4-6
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commitdiff
2012-11-06
Michael Shirts
Clarification of mdp_opt, add nstexpand defaults &...
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commitdiff
2012-11-06
Berk Hess
Merge "don't execute any mpi_info/mpiname in the path...
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commitdiff
2012-11-05
Berk Hess
Merge "updated several things related with OpenMP threa...
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