Merge "added explicit sqrtf to the float version of norm" into release-4-6
[alexxy/gromacs.git] / src /
2012-05-27 David van der SpoelMerge "added explicit sqrtf to the float version of...
2012-05-25 Roland SchulzMake load_vmd_library static
2012-05-25 Roland SchulzMade all vmdio headers private
2012-05-25 Roland SchulzMerge "fixed [dd] and [TT] typos in documentation of...
2012-05-25 David van der SpoelMerge "grompp now retains the order of bonds converted...
2012-05-25 Martin Hoeflingfixed [dd] and [TT] typos in documentation of mdrun...
2012-05-25 Christoph JunghansMerge "Fix that sigaction mask wasn't zeroed" into...
2012-05-24 Berk Hessnow mdrun always initializes MPI
2012-05-24 Teemu MurtolaMerge "Code cleanup to avoid name collisions" into...
2012-05-23 Roland SchulzFix that sigaction mask wasn't zeroed
2012-05-23 Roland SchulzCode cleanup to avoid name collisions
2012-05-21 Berk Hessgrompp now retains the order of bonds converted to...
2012-05-18 Roland SchulzRename BOOL to EBOOL
2012-05-17 Teemu MurtolaMerge "Fixing more clang warnings" into release-4-6
2012-05-17 Maarten Wolfmv membed.h from include to src/kernel
2012-05-16 Roland SchulzFixing more clang warnings
2012-05-09 Christoph JunghansMerge "Backporting "moving membed to mdrun" from master...
2012-05-09 Alexey Shvetsov[tools] g_sans - add OpenMP based parallelism
2012-05-08 Maarten WolfBackporting "moving membed to mdrun" from master
2012-05-08 Roland SchulzFixing more Clang warnings
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6
2012-05-05 Teemu MurtolaRemoved autoconf version info generation.
2012-05-01 Roland SchulzMerge "Disable OpenMP for llvm-gcc 4.2.x" into release-4-6
2012-04-30 Roland SchulzFix gmxdump error introduced by 553d4b1369
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-29 David van der SpoelMerge "changed number of iatoms for F_SETTLE from 1...
2012-04-29 David van der SpoelMerge "added support for graphs not starting at 0"...
2012-04-29 Roland SchulzDon't enable ASM if no asm kernel is selected
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-28 Berk Hessfixed PME forces with FE, fixes #929 introduced in...
2012-04-28 Teemu MurtolaMerge "Fix for sigaction" into release-4-6
2012-04-28 Roland SchulzFix srenew/sfree_aligned misuse in PME
2012-04-28 Mark AbrahamMerge "Remove checks based on Generator" into release...
2012-04-28 Mark AbrahamMerge "Fix version info generation for autoconf." into...
2012-04-27 Berk Hessfixed segv in TPI with PME, fixes #927
2012-04-27 Berk Hesschanged PME MPI_Comm comparisions to MPI_COMM_NULL...
2012-04-27 Berk Hesschanged number of iatoms for F_SETTLE from 1 to 3
2012-04-27 Teemu MurtolaFix version info generation for autoconf.
2012-04-27 Roland SchulzFix for sigaction
2012-04-26 Berk Hessadded support for graphs not starting at 0
2012-04-26 Berk HessMerge "Merge release-4-5-patches into release-4-6"...
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6
2012-04-26 David van der SpoelMerge "[tools] g_sans - splited out fixes and added...
2012-04-26 Berk Hessfixed the reported temperature with Brownian dynamics
2012-04-26 Berk Hessfixed dispersion correction with parallel EM
2012-04-26 Szilárd PállMerge "fixed initial COM motion removal with multiple...
2012-04-26 Alexey Shvetsov[tools] g_sans - splited out fixes and added citation
2012-04-26 David van der SpoelMerge "Various improvements to shell code" into release...
2012-04-25 Berk Hessreplaced PPPM by P3M-AD: a few lines in pme.c
2012-04-25 Berk Hessfixed initial COM motion removal with multiple groups
2012-04-24 Berk HessMerge "allow -append to overrule unsupported file locki...
2012-04-23 Christoph JunghansMerge "compiler flag fixes" into release-4-6
2012-04-22 Roland SchulzResolving a couple of clang analyzer warnings
2012-04-22 Roland SchulzMerge "enable command line option cheking in mdrun...
2012-04-19 Mark AbrahamVarious improvements to shell code
2012-04-18 Berk Hessfixed segfault in graph code with coordinate subsets
2012-04-18 Mark AbrahamRemoved outdated #includes
2012-04-18 Berk Hessallow -append to overrule unsupported file locking
2012-04-18 Szilard Palladded missing #ifdef around #include "thread_mpi.h"
2012-04-17 Berk Hesschanged mdrun file locking not supported error to a...
2012-04-17 Mark AbrahamAdded Windows-specific #defines, and use them
2012-04-16 Roland SchulzMerge "changed default for nstxout, nstvout and nstlog...
2012-04-16 Roland SchulzMerge "checkpoint files now contain a double precision...
2012-04-16 David van der SpoelMerge "Added support for dssp2.X with the -ver option...
2012-04-16 David van der SpoelMerge "Expanded the help text regarding the -r2 and...
2012-04-16 Erik MarklundExpanded the help text regarding the -r2 and -ac options.
2012-04-16 Berk Hesschanged default for nstxout, nstvout and nstlog
2012-04-16 Berk Hesscheckpoint files now contain a double precision flag
2012-04-16 Roland SchulzRestart IO operations when interrupter by signal
2012-04-16 Sander PronkMerge "Permit threads build on Cygwin" into release...
2012-04-16 Erik MarklundAdded support for dssp2.X with the -ver option
2012-04-15 Szilard Pallenable command line option cheking in mdrun
2012-04-14 Teemu MurtolaMerge "Clarified warning message" into release-4-5...
2012-04-14 Teemu MurtolaMerge "Clarified warning string" into release-4-5-patches
2012-04-14 Mark AbrahamDescribed default output behaviour
2012-04-14 Mark AbrahamClarified warning message
2012-04-14 Mark AbrahamClarified warning string
2012-04-12 Teemu MurtolaRead PDB information in read_tps_conf().
2012-04-11 Roland SchulzFix that directory is not mistaken for binary
2012-04-10 Mark AbrahamMade g_helix sensitive to CHARMM atom naming
2012-04-09 Christoph JunghansMerge "Documentation and error message enhancements...
2012-04-09 Mark AbrahamDocumentation and error message enhancements
2012-04-09 Christoph JunghansMerge "Consolidated documentation of .mdp restraint...
2012-04-06 Roland SchulzFix domain decomposition setup for >46k cores
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-04-03 Roland SchulzMerge "Fixes problems with g_msd and g_energy" into...
2012-04-02 Michael ShirtsFixes problems with g_msd and g_energy
2012-04-02 David van der SpoelMerge "Improved pdb2gmx error message" into release...
2012-04-02 Mark AbrahamImproved pdb2gmx error message
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-03-28 Christoph JunghansMerge "Resolving clang analyzer warnings in analysis...
2012-03-27 Roland SchulzResolving clang analyzer warnings in analysis
2012-03-27 Berk Hessadded correction for PME virial with non-linear virtual...
2012-03-26 Roland SchulzWarn when a value is unused
2012-03-23 Berk Hessfixed g_bar xvg reading issue
2012-03-21 Roland SchulzRemoving unused code
2012-03-20 Roland SchulzFix incorrect fclose usage
2012-03-18 Christoph JunghansMerge "Warnings against equilibrating with P-R P-coupli...
2012-03-18 David van der SpoelMerge "Fix typo in Clang CFlags" into release-4-5-patches
2012-03-18 Mark AbrahamWarnings against equilibrating with P-R P-coupling
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