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Merge "Merges in threading branch as one squashed commit" into release-4-6
[alexxy/gromacs.git]
/
src
/
2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
tree
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commitdiff
2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
tree
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commitdiff
2012-02-01
Christoph Junghans
initialize adress_do_hybridpairs=FALSE by default
tree
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commitdiff
2012-02-01
David van der Spoel
Merge "g_sans - tool to compute SANS spectra" into...
tree
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commitdiff
2012-01-31
Martin Hoefling
implemented -intra switch for g_dist (now based on...
tree
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commitdiff
2012-01-31
David van der Spoel
Changed order of parameters in top file
tree
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commitdiff
2012-01-25
Alexey Shvetsov
g_sans - tool to compute SANS spectra
tree
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commitdiff
2012-01-25
Roland Schulz
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2012-01-25
Berk Hess
Merge "Added two new bonded functions." into release-4-6
tree
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commitdiff
2012-01-25
David van der Spoel
Added two new bonded functions.
tree
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commitdiff
2012-01-25
Christoph Junghans
make gromacs manual build again
tree
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commitdiff
2012-01-24
Sebastian Fritsch
Merge "document AdResS mdp options" into release-4-6
tree
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commitdiff
2012-01-23
Carsten Kutzner
New tool that extracts dye dynamics from trajectories
tree
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commitdiff
2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-01-18
Roland Schulz
Revert "Replace stderr by stdout in editconf terminal...
tree
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commitdiff
2012-01-17
David van der Spoel
Replace stderr by stdout in editconf terminal output...
tree
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commitdiff
2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
tree
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commitdiff
2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
tree
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commitdiff
2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
tree
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commitdiff
2012-01-10
Mark Abraham
Fixed use of isfinite and _isfinite
tree
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commitdiff
2012-01-09
Mark Abraham
Fixed use of _snprintf_s with MSVC
tree
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commitdiff
2012-01-08
Roland Schulz
Check for VMD plugins that they are at least abi-version 10
tree
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commitdiff
2012-01-07
Mark Abraham
Made use of VMD plugins more robust
tree
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commitdiff
2012-01-04
Christoph Junghans
Merge "Documented the function of g_cluster -cl -noav...
tree
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commitdiff
2012-01-04
David van der Spoel
Introduced fatal error in grompp for incorrect use...
tree
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commitdiff
2011-12-29
Mark Abraham
Documented the function of g_cluster -cl -noav
tree
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commitdiff
2011-12-27
Roland Schulz
Merge "Added -dhdl to tpr file list, fixes #855" into...
tree
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commitdiff
2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2011-12-20
Carsten Kutzner
Added -dhdl to tpr file list, fixes #855
tree
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commitdiff
2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2011-12-20
Roland Schulz
Merge "Using MinSizeRel configuration and Release targe...
tree
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commitdiff
2011-12-19
Carsten Kutzner
Enforced rotation
tree
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commitdiff
2011-12-15
Roland Schulz
Using MinSizeRel configuration and Release target on...
tree
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commitdiff
2011-12-14
Roland Schulz
Merge "Re-fixed static linking of maths libraries under...
tree
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commitdiff
2011-12-13
Roland Schulz
Merge "Converted macro usage for readability" into...
tree
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commitdiff
2011-12-13
Mark Abraham
Converted macro usage for readability
tree
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commitdiff
2011-12-13
Roland Schulz
Merge "Relaxed some assumptions about trajectory times...
tree
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commitdiff
2011-12-13
Mark Abraham
Relaxed some assumptions about trajectory times
tree
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commitdiff
2011-12-12
Mark Abraham
Fixed macros that ended in semicolons
tree
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commitdiff
2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2011-12-11
Roland Schulz
Merge "Set -DMPI only if compiled for FAH" into release...
tree
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commitdiff
2011-12-11
Roland Schulz
Fixing MSVC unsigned/signed warnings
tree
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commitdiff
2011-12-09
Roland Schulz
Only check those atoms for PBC which are part of select...
tree
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commitdiff
2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
tree
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commitdiff
2011-12-08
Roland Schulz
Merge "Fix selection parsing in double precision."...
tree
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commitdiff
2011-12-08
Roland Schulz
Merge "Avoid possible warnings if HUGE_VAL != infinity...
tree
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commitdiff
2011-12-03
Roland Schulz
Remove RETSIGTYPE. C89 defines return value to be void.
tree
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commitdiff
2011-12-01
Teemu Murtola
Fix selection parsing in double precision.
tree
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commitdiff
2011-12-01
Teemu Murtola
Avoid possible warnings if HUGE_VAL != infinity.
tree
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commitdiff
2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
tree
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commitdiff
2011-11-28
Roland Schulz
Fix FFTW API usage
tree
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commitdiff
2011-11-27
Roland Schulz
Merge "Fixes inconsistent spelling of Git cmake variabl...
tree
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commitdiff
2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
tree
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commitdiff
2011-11-27
Roland Schulz
Merge "Cleaning up some bad coding practices" into...
tree
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commitdiff
2011-11-27
Roland Schulz
Merge "Initialize variables to make GCC 4.6 not complai...
tree
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commitdiff
2011-11-27
Berk Hess
fixed pull constraint periodicity consistency check...
tree
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commitdiff
2011-11-27
Roland Schulz
Merge "Added support for submission to cdash servers...
tree
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commitdiff
2011-11-25
Roland Schulz
Merge "Changed cryptic variable names" into release-4-6
tree
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commitdiff
2011-11-25
Roland Schulz
Cleaning up some bad coding practices
tree
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commitdiff
2011-11-25
Roland Schulz
Fixes inconsistent spelling of Git cmake variables
tree
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commitdiff
2011-11-25
Mark Abraham
Changed cryptic variable names
tree
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commitdiff
2011-11-24
Roland Schulz
Initialize variables to make GCC 4.6 not complain
tree
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commitdiff
2011-11-24
Mark Abraham
Only analyse angle transitions for dihedral angles
tree
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commitdiff
2011-11-24
Roland Schulz
Merge "Fixed g_angle -f -or to copy times from -f to...
tree
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commitdiff
2011-11-24
Mark Abraham
Added protective preprocessor directives
tree
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commitdiff
2011-11-23
Roland Schulz
Added an option to easily compile contrib programs...
tree
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commitdiff
2011-11-23
Mark Abraham
Fixed g_angle -f -or to copy times from -f to -or
tree
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commitdiff
2011-11-22
Carsten Kutzner
Actually -cpi and -bcpo must not be identical
tree
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commitdiff
2011-11-15
Berk Hess
fixed dd load print frequency with nsteps=-1, fixes...
tree
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commitdiff
2011-11-08
Christoph Junghans
Merge "Fixed bug #830 (segv in do_dssp)" into release...
tree
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commitdiff
2011-11-08
Kasson
Merge "Fix for GB, double, SSE2 and optimized kernels...
tree
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commitdiff
2011-11-02
Mark Abraham
Fix for GB, double, SSE2 and optimized kernels
tree
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commitdiff
2011-10-31
Carsten Kutzner
Fixed bug #830 (segv in do_dssp)
tree
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commitdiff
2011-10-27
Mark Abraham
Made reading of binary matrices more robust
tree
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commitdiff
2011-10-20
Alexey Shvetsov
Replace '_' in all mdp options to '-'
tree
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commitdiff
2011-10-20
Christoph Junghans
Merge "Changed default value for g_anaeig -last to...
tree
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commitdiff
2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
tree
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commitdiff
2011-10-20
Christoph Junghans
Merge "Add CMakeLists.txt.user to gitignore" into relea...
tree
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commitdiff
2011-10-19
Teemu Murtola
Merge "fixed pull constraining doing nothing, fixes...
tree
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commitdiff
2011-10-15
Christoph Junghans
Merge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6
tree
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commitdiff
2011-10-14
Roland Schulz
call to gmx_mtop_generate_local_top is only required...
tree
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commitdiff
2011-10-13
Mark Abraham
Changed default value for g_anaeig -last to -1
tree
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commitdiff
2011-10-13
Berk Hess
fixed pull constraining doing nothing, fixes #825
tree
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commitdiff
2011-10-11
Roland Schulz
Fixes MPI_GROUP_EMPTY for tMPI
tree
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commitdiff
2011-10-06
Szilárd Páll
Merge "Removed duplicate CMake functionality" into...
tree
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commitdiff
2011-10-06
Berk Hess
fixed segv in parallel replica exchange
tree
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commitdiff
2011-10-06
Mark Abraham
Fixes for GB kernel
tree
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commitdiff
2011-10-05
Roland Schulz
Only create group if part of load communicator and...
tree
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commitdiff
2011-09-27
Mark Abraham
Removed autotools and references to them.
tree
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commitdiff
2011-09-27
Rossen Apostolov
Merge "Removed CMake warning for recent OpenMPI version...
tree
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commitdiff
2011-09-26
Mark Abraham
Dropped some hints in the documentation
tree
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commitdiff
2011-09-21
David van der Spoel
Commented out part of this new program that was not...
tree
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commitdiff
2011-09-21
David van der Spoel
Fixed documentation issue described in redmine issue...
tree
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commitdiff
2011-09-21
David van der Spoel
Fixed documentation issue described in redmine issue...
tree
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commitdiff
2011-09-19
Justin A. Lemkul
Fixed typos in documentation.
tree
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commitdiff
2011-09-19
Sander Pronk
C89 fixes.
tree
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commitdiff
2011-09-19
David van der Spoel
Fixed compilation issues
tree
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commitdiff
2011-09-19
Rossen Apostolov
Merge "Resolved gerrit issue https://gerrit.gromacs...
tree
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commitdiff
2011-09-19
David van der Spoel
Resolved gerrit issue https://gerrit.gromacs.org/#chang...
tree
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commitdiff
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