alexxy/gromacs.git
2011-12-11 Roland SchulzMerge release-4-5-patches into release-4-6
2011-12-11 Roland SchulzMerge "Set -DMPI only if compiled for FAH" into release...
2011-12-11 Roland SchulzSet -DMPI only if compiled for FAH
2011-12-11 Roland SchulzFixing MSVC unsigned/signed warnings
2011-12-10 Roland SchulzRun tests also on Windows
2011-12-09 Roland SchulzOnly check those atoms for PBC which are part of select...
2011-12-08 Roland SchulzMerge "Added an option to easily compile contrib progra...
2011-12-08 Roland SchulzMerge "Fix selection parsing in double precision."...
2011-12-08 Roland SchulzMerge "Avoid possible warnings if HUGE_VAL != infinity...
2011-12-03 Roland SchulzRemove RETSIGTYPE. C89 defines return value to be void.
2011-12-03 Roland SchulzAdding support for Windows build and different CMake...
2011-12-03 Roland SchulzAdding support for Windows build and different CMake...
2011-12-01 Teemu MurtolaFix selection parsing in double precision.
2011-12-01 Teemu MurtolaAvoid possible warnings if HUGE_VAL != infinity.
2011-11-30 Roland SchulzAdding Gerrit Build description
2011-11-30 Roland SchulzAdding Gerrit Build description
2011-11-30 Roland SchulzRemoving TestBuildAll test
2011-11-30 Roland SchulzMerge "Merge remote-tracking branch 'gerrit/release...
2011-11-28 Roland SchulzFix FFTW API usage
2011-11-27 Roland SchulzMerge "Fixes inconsistent spelling of Git cmake variabl...
2011-11-27 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2011-11-27 Roland SchulzMerge "Replace '_' in all mdp options to '-'" into...
2011-11-27 Roland SchulzMerge "Cleaning up some bad coding practices" into...
2011-11-27 Roland SchulzMerge "Initialize variables to make GCC 4.6 not complai...
2011-11-27 Roland SchulzRemoving TestBuildAll test
2011-11-27 Berk Hessfixed pull constraint periodicity consistency check...
2011-11-27 Roland SchulzMerge "Added support for submission to cdash servers...
2011-11-25 Roland SchulzMerge "Changed cryptic variable names" into release-4-6
2011-11-25 Roland SchulzCleaning up some bad coding practices
2011-11-25 Rossen ApostolovAdded support for submission to cdash servers.
2011-11-25 Roland SchulzFixes inconsistent spelling of Git cmake variables
2011-11-25 Mark AbrahamChanged cryptic variable names
2011-11-24 Roland SchulzInitialize variables to make GCC 4.6 not complain
2011-11-24 Mark AbrahamOnly analyse angle transitions for dihedral angles
2011-11-24 Roland SchulzMerge "Fixed g_angle -f -or to copy times from -f to...
2011-11-24 Mark AbrahamAdded protective preprocessor directives
2011-11-23 Roland SchulzAdded an option to easily compile contrib programs...
2011-11-23 Mark AbrahamFixed g_angle -f -or to copy times from -f to -or
2011-11-22 Carsten KutznerActually -cpi and -bcpo must not be identical
2011-11-15 Berk Hessfixed dd load print frequency with nsteps=-1, fixes...
2011-11-08 Alexey Shvetsovmdp options in *.html also uses '-' instead of '_'
2011-11-08 Christoph JunghansMerge "Fixed bug #830 (segv in do_dssp)" into release...
2011-11-08 KassonMerge "Fix for GB, double, SSE2 and optimized kernels...
2011-11-02 Mark AbrahamFix for GB, double, SSE2 and optimized kernels
2011-11-01 Mark AbrahamTrigger correct kernels under Cygwin
2011-10-31 Carsten KutznerFixed bug #830 (segv in do_dssp)
2011-10-27 Mark AbrahamMade reading of binary matrices more robust
2011-10-20 Alexey ShvetsovReplace '_' to '-' in mdp options for tutorials
2011-10-20 Alexey ShvetsovReplace '_' in all mdp options to '-'
2011-10-20 Christoph JunghansMerge "Changed default value for g_anaeig -last to...
2011-10-20 Christoph JunghansMerge "Fixes for GB kernel" into release-4-5-patches
2011-10-20 Christoph JunghansMerge "Add CMakeLists.txt.user to gitignore" into relea...
2011-10-19 Teemu MurtolaMerge "fixed pull constraining doing nothing, fixes...
2011-10-19 Mark AbrahamCorrected charge of CHARMM zinc ion to +2
2011-10-15 Christoph JunghansMerge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6
2011-10-14 Roland Schulzcall to gmx_mtop_generate_local_top is only required...
2011-10-13 Mark AbrahamChanged default value for g_anaeig -last to -1
2011-10-13 Berk Hessfixed pull constraining doing nothing, fixes #825
2011-10-11 Alexey ShvetsovAdd CMakeLists.txt.user to gitignore
2011-10-11 Alexey ShvetsovUpdated grompp.mdp for tutor/water
2011-10-11 Roland SchulzFixes MPI_GROUP_EMPTY for tMPI
2011-10-06 Szilárd PállMerge "Removed duplicate CMake functionality" into...
2011-10-06 Berk Hessfixed segv in parallel replica exchange
2011-10-06 Mark AbrahamRemoved erroneous use of MASSV on BlueGene
2011-10-06 Mark AbrahamFixes for GB kernel
2011-10-05 Roland SchulzOnly create group if part of load communicator and...
2011-09-30 Mark AbrahamRemoved duplicate CMake functionality
2011-09-27 Mark AbrahamAdded tip for converting .xpm to something useful
2011-09-27 Mark AbrahamRemoved autotools and references to them.
2011-09-27 Rossen ApostolovMerge "Removed CMake warning for recent OpenMPI version...
2011-09-26 Mark AbrahamDropped some hints in the documentation
2011-09-26 Mark AbrahamRemoved CMake warning for recent OpenMPI versions
2011-09-23 Mark AbrahamMinor house-keeping
2011-09-21 Rossen ApostolovUpdated version: now 4.6
2011-09-21 David van der... Commented out part of this new program that was not...
2011-09-21 David van der... Fixed documentation issue described in redmine issue...
2011-09-21 David van der... Fixed documentation issue described in redmine issue...
2011-09-20 Rossen ApostolovNew release: 4.5.5
2011-09-19 Justin A. LemkulFixed typos in documentation.
2011-09-19 Sander PronkC89 fixes.
2011-09-19 David van der... Fixed compilation issues
2011-09-19 Rossen ApostolovMerge "Resolved gerrit issue https://gerrit.gromacs...
2011-09-19 David van der... Resolved gerrit issue https://gerrit.gromacs.org/#chang...
2011-09-19 Rossen ApostolovAdded support for g_dos, g_hydorder and g_densorder...
2011-09-19 Rossen ApostolovFixed a bug in egbOBC and double precission.
2011-09-19 Berk Hessadded grompp check for posres+pcoupl+refcoord_scaling=no
2011-09-16 Rossen ApostolovMerge "g_wham: fixed pullx.xvg reading issue with pull_...
2011-09-16 Erik LindahlMerge "made allocation for LINCS with particle decompos...
2011-09-16 Jochen Hubg_wham: fixed pullx.xvg reading issue with pull_geometr...
2011-09-15 Berk Hessmdrun -multi -cpi now checks if simulations parts are...
2011-09-15 Berk HessMerge "Introduced different options for pdb2gmx termini...
2011-09-15 Mark AbrahamFix trjconv -sub
2011-09-15 Mark AbrahamWarning about trjconv -sub needing many files open
2011-09-15 Mark Abrahamg_sham -mdata is an input file, not output file
2011-09-14 Mark AbrahamFormat warning better
2011-09-13 Rossen ApostolovMerge "Added warning line." into release-4-5-patches
2011-09-13 Erik LindahlIntroduced different options for pdb2gmx termini introd...
2011-09-13 Berk HessMerge "Fix pdb2gmx -debug and .hdb files" into release...
2011-09-13 Berk HessMerge "Fixed charge groups of CHARMM27 DNA/RNA terminal...
2011-09-13 Berk HessMerge "Added ACE and CT3 to CHARMM27 aminoacids.rtp...
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