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Merge "[tools] g_sans - add trajectory avereging"
[alexxy/gromacs.git]
/
share
/
2012-10-04
Kasson
Merge "Support C++11 <regex> as alternative to POSIX...
tree
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commitdiff
2012-10-04
Kasson
Merge "Encapsulate regexp use in selections."
tree
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commitdiff
2012-10-04
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2012-10-02
Christoph Junghans
Merge "Merge release-4-6 into master"
tree
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commitdiff
2012-10-01
Roland Schulz
Merge release-4-6 into master
tree
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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
2012-09-25
Teemu Murtola
Fine-tuning for FileNameOption.
tree
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commitdiff
2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
tree
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commitdiff
2012-09-15
Kasson
Merge "Fix some memory leaks." into release-4-5-patches
tree
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commitdiff
2012-09-15
David van der Spoel
Merge "Adapted NMR related data to new pdb format....
tree
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commitdiff
2012-09-10
Christoph Junghans
Merge "Allow 'atomname' and 'atomtype' in selections."
tree
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commitdiff
2012-09-10
Roland Schulz
Merge "Update use of CPack components and add install...
tree
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commitdiff
2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
tree
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commitdiff
2012-09-07
David van der Spoel
Adapted NMR related data to new pdb format.
tree
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commitdiff
2012-09-06
Roland Schulz
Merge "Fixed .g96 trajectory reading." into release...
tree
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commitdiff
2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
tree
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commitdiff
2012-09-04
Christoph Junghans
Merge "Reorganize CommandLineHelpWriter implementation."
tree
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commitdiff
2012-09-04
Christoph Junghans
Merge "Fix SelectionParserParameter move constructor...
tree
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commitdiff
2012-09-04
David van der Spoel
Made tutorial slightly less confusing.
tree
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commitdiff
2012-09-03
Kasson
Merge "Document correct comm_mode option" into release...
tree
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commitdiff
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-08-31
Teemu Murtola
Remove obsolete .gitignore entries.
tree
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commitdiff
2012-08-28
Mark Abraham
Document correct comm_mode option
tree
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commitdiff
2012-08-22
Bogdan Iorga
Added PGLU entry in aminoacids.n.tdb for OPLS-AA.
tree
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commitdiff
2012-08-20
Christoph Junghans
Merge "Fixing of things associated with aminoacid.rtp...
tree
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commitdiff
2012-08-11
Mark Abraham
Fixing of things associated with aminoacid.rtp header
tree
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commitdiff
2012-08-10
Mark Abraham
Added TIP4P back into CHARMM27
tree
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commitdiff
2012-08-05
Roland Schulz
Remove share/tutor
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commitdiff
2012-07-26
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
tree
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commitdiff
2012-07-26
Christoph Junghans
Merge changes I33cd59e6,I8a2e539f
tree
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commitdiff
2012-07-24
Teemu Murtola
Merge remote-tracking branch 'gerrit/release-4-6'
tree
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commitdiff
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
tree
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commitdiff
2012-07-11
Teemu Murtola
Improve option initialization in traj. analysis.
tree
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commitdiff
2012-07-10
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
tree
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commitdiff
2012-07-06
Roland Schulz
Merge "Set common output directory for binaries"
tree
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commitdiff
2012-07-06
Teemu Murtola
Merge "Test framework for TrajectoryAnalysisModules."
tree
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commitdiff
2012-07-06
Teemu Murtola
Test framework for TrajectoryAnalysisModules.
tree
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commitdiff
2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
tree
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commitdiff
2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
tree
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commitdiff
2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
tree
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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...
tree
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commitdiff
2012-07-04
Berk Hess
set default for rcoulomb, rvdw and rlist to -1
tree
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commitdiff
2012-07-03
Teemu Murtola
Error/exception handling improvements.
tree
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commitdiff
2012-06-29
Christoph Junghans
Add FindGROMACS.cmake to template's CMakeLists.txt
tree
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commitdiff
2012-06-26
Roland Schulz
Merge "Make sure that found Boost version is new enough"
tree
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commitdiff
2012-06-26
Teemu Murtola
Merge "Merge remote-tracking branch 'origin/release...
tree
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commitdiff
2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
tree
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commitdiff
2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
tree
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commitdiff
2012-06-24
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6'
tree
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commitdiff
2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
tree
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commitdiff
2012-06-24
Teemu Murtola
Merge remote-tracking branch 'gerrit/release-4-6'
tree
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commitdiff
2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
tree
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commitdiff
2012-06-13
Christoph Junghans
Merge "Merge branch 'release-4-6'"
tree
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commitdiff
2012-06-06
Roland Schulz
Merge branch 'release-4-6'
tree
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commitdiff
2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
tree
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commitdiff
2012-06-03
Roland Schulz
Merge release-4-6 into master
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
2012-05-27
Roland Schulz
Merge release-4-6 (commit 'Ic142a690')
tree
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commitdiff
2012-05-18
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6'
tree
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commitdiff
2012-05-16
Roland Schulz
Merge 'origin/release-4-6' into master
tree
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commitdiff
2012-05-08
Christoph Junghans
Merge "Print list of modules with 'g_ana help'."
tree
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commitdiff
2012-05-08
Teemu Murtola
Merge "Remove g_luck."
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
2012-05-03
Teemu Murtola
Remove g_luck.
tree
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commitdiff
2012-05-01
Roland Schulz
Merge release-4-6 into master
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-4-6 into master
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
tree
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commitdiff
2012-04-26
Teemu Murtola
Move string array concatenation to format.h.
tree
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commitdiff
2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
tree
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commitdiff
2012-04-23
Roland Schulz
Merge "Fix 'make install'."
tree
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commitdiff
2012-04-23
Teemu Murtola
Better names for FileNameOption methods.
tree
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commitdiff
2012-04-22
Roland Schulz
Merge "enable command line option cheking in mdrun...
tree
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commitdiff
2012-04-16
Roland Schulz
Merge "changed default for nstxout, nstvout and nstlog...
tree
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commitdiff
2012-04-16
Roland Schulz
Merge "Add documentation for template.cpp."
tree
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commitdiff
2012-04-16
Berk Hess
changed default for nstxout, nstvout and nstlog
tree
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commitdiff
2012-04-16
Teemu Murtola
Add documentation for template.cpp.
tree
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commitdiff
2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
tree
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commitdiff
2012-04-09
Mark Abraham
Lots of manual updates
tree
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commitdiff
2012-04-09
Christoph Junghans
Merge "Consolidated documentation of .mdp restraint...
tree
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commitdiff
2012-04-09
Mark Abraham
Consolidated documentation of .mdp restraint options
tree
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commitdiff
2012-04-06
Christoph Junghans
Merge "Replaced a default parameter with separate method."
tree
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commitdiff
2012-04-06
Christoph Junghans
Merge "Improve selection interface (remove some pointers)."
tree
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commitdiff
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-04-01
Teemu Murtola
Replaced a default parameter with separate method.
tree
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commitdiff
2012-04-01
Teemu Murtola
Improve selection interface (remove some pointers).
tree
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commitdiff
2012-03-28
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-6'
tree
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commitdiff
2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-03-26
Teemu Murtola
Updates to template documentation.
tree
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commitdiff
2012-03-18
Christoph Junghans
Merge "Fixing some Doxygen warnings"
tree
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commitdiff
2012-03-18
David van der Spoel
Merge "Fix typo in Clang CFlags" into release-4-5-patches
tree
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commitdiff
2012-03-18
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-6'
tree
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commitdiff
2012-03-18
David van der Spoel
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2012-03-17
Teemu Murtola
Use smart pointer to pass ownership across functions.
tree
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commitdiff
2012-03-17
Teemu Murtola
Reduced use of raw pointers.
tree
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commitdiff
2012-03-17
Roland Schulz
Use smart pointers for internal memory management.
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commitdiff
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